REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2w04_1_B DATA FIRST_RESID 7 DATA SEQUENCE DVLSRMISEK AALHGLLNCL IKEFAIPEGY LRYEWPDEMK GIPPGAYFDG DATA SEQUENCE ADWKGIPMMI GLPDQLQLFV MVDRRDTFGS QHYLSDVYLR QXXGDWQCPD DATA SEQUENCE FEPLVARLLA ACEHIAGRKN PELYEQILQS QRLVSAIVSH NGRQRADAPL DATA SEQUENCE QHYLQSEQGL WFGHPSHPAP KARLWPAHLG QEQWAPEFQA RAALHQFEVP DATA SEQUENCE VDGLHIGANG LTPQQVLDGF ADQQPASPGH AIICMHPVQA QLFMQDARVQ DATA SEQUENCE QLLRDNVIRD LGQSGRVASP TASIRTWFID DHDYFIKGSL NVRITNCVRK DATA SEQUENCE NAWYELESTV LIDRLFRQLL DQHADTLGGL VAAAEPGVVS WSPAAAGELD DATA SEQUENCE SHWFREQTGG ILRENFCRRT GAERSIMAGT LFARGVDLQP MIQTFLRTHY DATA SEQUENCE GEALDDNALL YWFDDYQTRL LRPVLSLFFN HGVVMEPHLQ NSVLVHQQGR DATA SEQUENCE PQQVLLRDFE GVKLTDDLGI RYIDDDIHPR VRQSLLYSRE QGWNRIMYCL DATA SEQUENCE FINHLSETIL ALSQGRPQLA PLMWRRVQQQ LRAIQGELKQ PSPELDALIA DATA SEQUENCE GHPVACKTNL KVRLAAXXXX QASYVRLPSP W VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.283 176.300 -0.028 0.000 2.045 7 D CA 0.000 53.982 54.000 -0.029 0.000 0.868 7 D CB 0.000 40.788 40.800 -0.019 0.000 0.688 8 V N 2.521 122.422 119.914 -0.023 0.000 2.255 8 V HA -0.224 3.829 4.120 -0.112 0.000 0.247 8 V C 2.802 178.877 176.094 -0.032 0.000 1.051 8 V CA 2.016 64.301 62.300 -0.024 0.000 1.018 8 V CB -0.502 31.313 31.823 -0.015 0.000 0.641 8 V HN 0.248 nan 8.190 nan 0.000 0.445 9 L N 0.022 121.226 121.223 -0.031 0.000 2.089 9 L HA -0.213 4.060 4.340 -0.112 0.000 0.213 9 L C 2.513 179.355 176.870 -0.047 0.000 1.079 9 L CA 2.401 57.219 54.840 -0.036 0.000 0.758 9 L CB -0.705 41.334 42.059 -0.034 0.000 0.891 9 L HN 0.306 nan 8.230 nan 0.000 0.433 10 S N -0.648 115.021 115.700 -0.052 0.000 2.353 10 S HA -0.268 4.135 4.470 -0.112 0.000 0.222 10 S C 2.044 176.605 174.600 -0.065 0.000 1.035 10 S CA 1.672 59.836 58.200 -0.061 0.000 1.025 10 S CB -0.420 62.743 63.200 -0.062 0.000 0.902 10 S HN 0.528 nan 8.310 nan 0.000 0.440 11 R N 0.841 121.300 120.500 -0.069 0.000 2.080 11 R HA -0.096 4.177 4.340 -0.112 0.000 0.236 11 R C 2.366 178.589 176.300 -0.129 0.000 1.137 11 R CA 1.700 57.740 56.100 -0.100 0.000 0.943 11 R CB -0.337 29.911 30.300 -0.086 0.000 0.846 11 R HN 0.315 nan 8.270 nan 0.000 0.431 12 M N 0.328 119.872 119.600 -0.092 0.000 2.089 12 M HA -0.247 4.166 4.480 -0.112 0.000 0.257 12 M C 2.415 178.649 176.300 -0.110 0.000 1.071 12 M CA 1.743 56.991 55.300 -0.088 0.000 1.096 12 M CB -0.808 31.761 32.600 -0.052 0.000 1.330 12 M HN 0.268 nan 8.290 nan 0.000 0.403 13 I N 0.630 121.145 120.570 -0.092 0.000 2.099 13 I HA -0.326 3.777 4.170 -0.112 0.000 0.239 13 I C 2.789 178.825 176.117 -0.135 0.000 1.066 13 I CA 1.974 63.218 61.300 -0.093 0.000 1.324 13 I CB -0.473 37.508 38.000 -0.032 0.000 1.037 13 I HN 0.415 nan 8.210 nan 0.000 0.401 14 S N 0.260 115.899 115.700 -0.101 0.000 2.419 14 S HA -0.183 4.220 4.470 -0.112 0.000 0.233 14 S C 1.708 176.156 174.600 -0.252 0.000 1.016 14 S CA 1.159 59.300 58.200 -0.099 0.000 0.974 14 S CB -0.487 62.673 63.200 -0.065 0.000 0.786 14 S HN 0.499 nan 8.310 nan 0.000 0.492 15 E N 1.349 121.341 120.200 -0.347 0.000 2.072 15 E HA -0.098 4.185 4.350 -0.112 0.000 0.190 15 E C 2.120 178.626 176.600 -0.156 0.000 0.982 15 E CA 0.996 57.092 56.400 -0.507 0.000 0.803 15 E CB -0.190 29.256 29.700 -0.423 0.000 0.755 15 E HN 0.634 nan 8.360 nan 0.000 0.453 16 K N 1.025 121.309 120.400 -0.193 0.000 2.057 16 K HA -0.109 4.144 4.320 -0.112 0.000 0.206 16 K C 2.164 178.508 176.600 -0.427 0.000 1.050 16 K CA 1.106 57.221 56.287 -0.286 0.000 0.935 16 K CB -0.069 32.232 32.500 -0.331 0.000 0.715 16 K HN 0.065 nan 8.250 nan 0.000 0.439 17 A N 1.007 123.595 122.820 -0.387 0.000 1.877 17 A HA -0.101 4.152 4.320 -0.112 0.000 0.216 17 A C 2.336 179.863 177.584 -0.095 0.000 1.186 17 A CA 1.867 53.659 52.037 -0.407 0.000 0.620 17 A CB -0.920 17.633 19.000 -0.745 0.000 0.822 17 A HN 0.459 nan 8.150 nan 0.000 0.443 18 A N -0.446 122.379 122.820 0.009 0.000 1.877 18 A HA -0.067 4.186 4.320 -0.112 0.000 0.216 18 A C 2.149 179.877 177.584 0.239 0.000 1.186 18 A CA 1.822 53.970 52.037 0.184 0.000 0.620 18 A CB -0.686 18.482 19.000 0.280 0.000 0.822 18 A HN 0.780 nan 8.150 nan 0.000 0.443 19 L N -0.375 121.015 121.223 0.278 0.000 2.046 19 L HA -0.192 4.081 4.340 -0.112 0.000 0.208 19 L C 2.248 179.213 176.870 0.158 0.000 1.077 19 L CA 2.378 57.334 54.840 0.194 0.000 0.747 19 L CB -0.975 41.202 42.059 0.197 0.000 0.896 19 L HN 0.586 nan 8.230 nan 0.000 0.432 20 H N -1.314 117.762 119.070 0.011 0.000 2.353 20 H HA -0.076 4.412 4.556 -0.114 0.000 0.300 20 H C 2.029 177.431 175.328 0.123 0.000 1.090 20 H CA 0.661 56.739 56.048 0.049 0.000 1.327 20 H CB -0.172 29.720 29.762 0.215 0.000 1.383 20 H HN 0.546 nan 8.280 nan 0.000 0.508 21 G N 0.906 109.852 108.800 0.243 0.000 2.432 21 G HA2 -0.227 3.666 3.960 -0.112 0.000 0.219 21 G HA3 -0.227 3.666 3.960 -0.112 0.000 0.219 21 G C 1.686 176.667 174.900 0.135 0.000 1.135 21 G CA 0.571 45.790 45.100 0.198 0.000 0.767 21 G HN 0.230 nan 8.290 nan 0.000 0.550 22 L N 0.070 121.351 121.223 0.098 0.000 2.179 22 L HA 0.300 4.573 4.340 -0.112 0.000 0.208 22 L C 2.551 179.433 176.870 0.019 0.000 1.096 22 L CA 1.008 55.874 54.840 0.043 0.000 0.779 22 L CB -0.230 41.839 42.059 0.017 0.000 0.922 22 L HN 0.165 nan 8.230 nan 0.000 0.443 23 L N -0.514 120.695 121.223 -0.023 0.000 2.056 23 L HA -0.188 4.085 4.340 -0.112 0.000 0.207 23 L C 2.249 179.155 176.870 0.060 0.000 1.078 23 L CA 1.013 55.801 54.840 -0.087 0.000 0.749 23 L CB -0.718 41.073 42.059 -0.448 0.000 0.901 23 L HN 0.328 nan 8.230 nan 0.000 0.433 24 N N -0.194 118.597 118.700 0.153 0.000 2.037 24 N HA -0.218 4.455 4.740 -0.112 0.000 0.196 24 N C 1.845 177.418 175.510 0.105 0.000 1.034 24 N CA 1.928 55.080 53.050 0.171 0.000 0.861 24 N CB -0.861 37.732 38.487 0.177 0.000 1.039 24 N HN 0.342 nan 8.380 nan 0.000 0.427 25 C N 0.584 119.929 119.300 0.076 0.000 2.413 25 C HA -0.049 4.344 4.460 -0.112 0.000 0.276 25 C C 2.763 177.824 174.990 0.117 0.000 1.236 25 C CA 0.092 59.139 59.018 0.048 0.000 1.735 25 C CB -1.349 26.400 27.740 0.015 0.000 2.031 25 C HN 0.473 nan 8.230 nan 0.000 0.474 26 L N 0.343 121.647 121.223 0.135 0.000 1.990 26 L HA -0.205 4.068 4.340 -0.112 0.000 0.213 26 L C 2.388 179.373 176.870 0.192 0.000 1.072 26 L CA 2.028 56.986 54.840 0.197 0.000 0.755 26 L CB -0.319 41.787 42.059 0.079 0.000 0.889 26 L HN 0.353 nan 8.230 nan 0.000 0.432 27 I N -0.644 119.995 120.570 0.114 0.000 2.277 27 I HA -0.265 3.838 4.170 -0.112 0.000 0.243 27 I C 2.532 178.685 176.117 0.061 0.000 1.094 27 I CA 1.090 62.443 61.300 0.089 0.000 1.393 27 I CB -0.169 37.888 38.000 0.095 0.000 1.078 27 I HN 0.166 nan 8.210 nan 0.000 0.417 28 K N 0.645 121.077 120.400 0.053 0.000 2.026 28 K HA -0.167 4.085 4.320 -0.112 0.000 0.208 28 K C 1.920 178.476 176.600 -0.073 0.000 1.048 28 K CA 1.521 57.816 56.287 0.012 0.000 0.929 28 K CB -0.080 32.433 32.500 0.021 0.000 0.713 28 K HN 0.373 nan 8.250 nan 0.000 0.439 29 E N -1.041 119.081 120.200 -0.129 0.000 2.250 29 E HA -0.022 4.261 4.350 -0.112 0.000 0.192 29 E C 1.328 177.584 176.600 -0.574 0.000 0.986 29 E CA 0.744 56.910 56.400 -0.390 0.000 0.849 29 E CB 0.237 29.606 29.700 -0.552 0.000 0.797 29 E HN 0.227 nan 8.360 nan 0.000 0.482 30 F N 0.075 119.988 119.950 -0.062 0.000 2.463 30 F HA 0.285 4.812 4.527 -0.001 0.000 0.271 30 F C 2.294 177.995 175.800 -0.164 0.000 0.888 30 F CA 0.260 58.208 58.000 -0.087 0.000 1.149 30 F CB -0.499 38.502 39.000 0.001 0.000 1.071 30 F HN -0.094 nan 8.300 nan 0.000 0.802 31 A N 1.041 123.941 122.820 0.133 0.000 1.859 31 A HA -0.185 4.068 4.320 -0.112 0.000 0.217 31 A C 2.117 179.656 177.584 -0.075 0.000 1.198 31 A CA 2.199 54.264 52.037 0.047 0.000 0.629 31 A CB -1.202 17.841 19.000 0.073 0.000 0.830 31 A HN 0.390 nan 8.150 nan 0.000 0.446 32 I N -0.259 120.277 120.570 -0.057 0.000 2.193 32 I HA -0.122 3.981 4.170 -0.112 0.000 0.240 32 I C -0.502 175.549 176.117 -0.110 0.000 1.084 32 I CA 1.138 62.396 61.300 -0.070 0.000 1.365 32 I CB -1.151 36.831 38.000 -0.030 0.000 1.064 32 I HN 0.217 nan 8.210 nan 0.000 0.410 33 P HA -0.154 nan 4.420 nan 0.000 0.219 33 P C 0.811 178.006 177.300 -0.174 0.000 1.146 33 P CA 1.388 64.406 63.100 -0.136 0.000 0.808 33 P CB -0.017 31.593 31.700 -0.150 0.000 0.779 34 E N -1.907 118.120 120.200 -0.289 0.000 2.501 34 E HA 0.254 4.537 4.350 -0.112 0.000 0.201 34 E C 0.759 177.071 176.600 -0.481 0.000 1.016 34 E CA 0.285 56.423 56.400 -0.435 0.000 0.920 34 E CB 0.010 29.318 29.700 -0.653 0.000 1.023 34 E HN 0.109 nan 8.360 nan 0.000 0.474 35 G N 1.910 110.538 108.800 -0.287 0.000 2.272 35 G HA2 -0.275 3.618 3.960 -0.112 0.000 0.280 35 G HA3 -0.275 3.618 3.960 -0.112 0.000 0.280 35 G C 0.079 175.012 174.900 0.054 0.000 1.067 35 G CA 0.191 45.230 45.100 -0.101 0.000 0.902 35 G HN 0.257 nan 8.290 nan 0.000 0.500 36 Y N -1.334 118.961 120.300 -0.008 0.000 2.468 36 Y HA 0.473 4.944 4.550 -0.132 0.000 0.268 36 Y C 1.395 177.267 175.900 -0.048 0.000 1.177 36 Y CA -0.864 57.226 58.100 -0.016 0.000 1.265 36 Y CB 0.134 38.594 38.460 0.001 0.000 1.103 36 Y HN 0.493 nan 8.280 nan 0.000 0.522 37 L N 1.524 122.774 121.223 0.044 0.000 2.322 37 L HA 0.642 4.915 4.340 -0.112 0.000 0.281 37 L C -0.794 175.970 176.870 -0.176 0.000 1.014 37 L CA -0.616 54.168 54.840 -0.093 0.000 0.815 37 L CB 1.196 43.160 42.059 -0.157 0.000 1.247 37 L HN -0.021 nan 8.230 nan 0.000 0.421 38 R N 4.110 124.474 120.500 -0.227 0.000 2.628 38 R HA 0.342 4.615 4.340 -0.112 0.000 0.288 38 R C -1.735 174.367 176.300 -0.329 0.000 0.980 38 R CA -0.688 55.292 56.100 -0.201 0.000 0.891 38 R CB 1.476 31.743 30.300 -0.056 0.000 1.188 38 R HN 0.506 nan 8.270 nan 0.000 0.450 39 Y N 2.286 122.560 120.300 -0.043 0.000 2.691 39 Y HA 0.181 4.667 4.550 -0.108 0.000 0.338 39 Y C 0.260 176.098 175.900 -0.102 0.000 1.148 39 Y CA -0.238 57.806 58.100 -0.094 0.000 1.430 39 Y CB 0.343 38.754 38.460 -0.082 0.000 1.303 39 Y HN 0.593 nan 8.280 nan 0.000 0.499 40 E N -0.228 119.946 120.200 -0.042 0.000 2.437 40 E HA 0.374 4.657 4.350 -0.112 0.000 0.280 40 E C -1.737 174.781 176.600 -0.136 0.000 1.044 40 E CA -1.279 55.093 56.400 -0.046 0.000 0.826 40 E CB 1.091 30.821 29.700 0.050 0.000 1.358 40 E HN 0.249 nan 8.360 nan 0.000 0.459 41 W N 0.824 122.098 121.300 -0.044 0.000 2.313 41 W HA 0.411 5.006 4.660 -0.109 0.000 0.328 41 W C -2.078 174.380 176.519 -0.101 0.000 1.197 41 W CA -1.424 55.847 57.345 -0.123 0.000 1.235 41 W CB 0.245 29.555 29.460 -0.250 0.000 1.158 41 W HN 0.364 nan 8.180 nan 0.000 0.578 42 P HA -0.025 nan 4.420 nan 0.000 0.269 42 P C 0.404 177.753 177.300 0.082 0.000 1.215 42 P CA 0.016 63.181 63.100 0.108 0.000 0.780 42 P CB 0.958 32.723 31.700 0.108 0.000 0.898 43 D N 0.250 120.705 120.400 0.091 0.000 2.098 43 D HA -0.099 4.474 4.640 -0.112 0.000 0.207 43 D C 0.557 176.875 176.300 0.029 0.000 0.979 43 D CA 1.357 55.383 54.000 0.044 0.000 0.878 43 D CB -0.379 40.439 40.800 0.031 0.000 1.028 43 D HN 0.428 nan 8.370 nan 0.000 0.452 44 E N -0.397 119.833 120.200 0.049 0.000 2.390 44 E HA 0.137 4.420 4.350 -0.112 0.000 0.261 44 E C 0.202 176.881 176.600 0.131 0.000 1.076 44 E CA 0.343 56.774 56.400 0.052 0.000 0.905 44 E CB 0.769 30.485 29.700 0.028 0.000 0.984 44 E HN 0.096 nan 8.360 nan 0.000 0.427 45 M N 2.024 121.663 119.600 0.065 0.000 2.314 45 M HA 0.124 4.537 4.480 -0.112 0.000 0.383 45 M C -0.178 176.146 176.300 0.041 0.000 0.984 45 M CA -0.264 55.031 55.300 -0.009 0.000 0.982 45 M CB 0.524 32.953 32.600 -0.285 0.000 1.745 45 M HN 0.324 nan 8.290 nan 0.000 0.600 46 K N 1.090 121.550 120.400 0.101 0.000 2.466 46 K HA 0.157 4.410 4.320 -0.112 0.000 0.278 46 K C 0.898 177.604 176.600 0.177 0.000 1.048 46 K CA 1.671 58.013 56.287 0.092 0.000 1.088 46 K CB 0.122 32.656 32.500 0.058 0.000 0.884 46 K HN 0.407 nan 8.250 nan 0.000 0.478 47 G N 3.961 112.827 108.800 0.109 0.000 2.705 47 G HA2 -0.144 3.749 3.960 -0.112 0.000 0.193 47 G HA3 -0.144 3.749 3.960 -0.112 0.000 0.193 47 G C -0.076 174.808 174.900 -0.026 0.000 1.015 47 G CA -0.220 44.966 45.100 0.143 0.000 0.743 47 G HN 0.556 nan 8.290 nan 0.000 0.476 48 I N 4.104 124.534 120.570 -0.234 0.000 2.312 48 I HA 0.381 4.484 4.170 -0.112 0.000 0.290 48 I C -1.867 174.216 176.117 -0.057 0.000 1.008 48 I CA -2.175 58.825 61.300 -0.501 0.000 1.226 48 I CB 1.587 39.129 38.000 -0.763 0.000 1.371 48 I HN -0.048 nan 8.210 nan 0.000 0.468 49 P HA 0.170 nan 4.420 nan 0.000 0.275 49 P C -2.155 175.201 177.300 0.093 0.000 1.227 49 P CA -1.487 61.673 63.100 0.099 0.000 0.781 49 P CB 0.473 32.249 31.700 0.126 0.000 0.906 50 P HA -0.194 nan 4.420 nan 0.000 0.216 50 P C 1.602 178.742 177.300 -0.267 0.000 1.150 50 P CA 1.785 64.726 63.100 -0.265 0.000 0.843 50 P CB -0.595 31.072 31.700 -0.055 0.000 0.787 51 G N 0.146 108.937 108.800 -0.016 0.000 2.527 51 G HA2 -0.179 3.714 3.960 -0.112 0.000 0.219 51 G HA3 -0.179 3.714 3.960 -0.112 0.000 0.219 51 G C 1.641 176.576 174.900 0.058 0.000 1.117 51 G CA 0.797 45.909 45.100 0.021 0.000 0.759 51 G HN 0.424 nan 8.290 nan 0.000 0.556 52 A N -0.119 122.771 122.820 0.117 0.000 2.072 52 A HA 0.313 4.566 4.320 -0.112 0.000 0.216 52 A C 1.762 179.592 177.584 0.409 0.000 1.156 52 A CA 1.316 53.536 52.037 0.305 0.000 0.701 52 A CB -0.154 19.131 19.000 0.475 0.000 0.816 52 A HN 0.770 nan 8.150 nan 0.000 0.458 53 Y N -5.110 115.421 120.300 0.384 0.000 2.610 53 Y HA 0.600 5.084 4.550 -0.111 0.000 0.254 53 Y C -0.032 176.267 175.900 0.665 0.000 1.110 53 Y CA -1.476 56.935 58.100 0.519 0.000 1.238 53 Y CB 0.080 38.939 38.460 0.665 0.000 1.322 53 Y HN 0.073 nan 8.280 nan 0.000 0.547 54 F N 3.678 123.625 119.950 -0.006 0.000 2.536 54 F HA 0.450 4.910 4.527 -0.113 0.000 0.322 54 F C -0.057 175.729 175.800 -0.024 0.000 1.144 54 F CA -1.568 56.455 58.000 0.038 0.000 0.924 54 F CB 1.503 40.440 39.000 -0.105 0.000 1.181 54 F HN 0.073 nan 8.300 nan 0.000 0.438 55 D N 2.525 122.544 120.400 -0.635 0.000 2.339 55 D HA 0.282 4.855 4.640 -0.112 0.000 0.217 55 D C 1.531 177.370 176.300 -0.769 0.000 1.050 55 D CA 0.736 54.416 54.000 -0.534 0.000 0.856 55 D CB 0.500 41.159 40.800 -0.234 0.000 0.922 55 D HN 0.980 nan 8.370 nan 0.000 0.518 56 G N -0.270 107.559 108.800 -1.618 0.000 2.349 56 G HA2 -0.237 3.656 3.960 -0.112 0.000 0.213 56 G HA3 -0.237 3.656 3.960 -0.112 0.000 0.213 56 G C 1.141 175.766 174.900 -0.458 0.000 1.044 56 G CA 0.218 44.752 45.100 -0.944 0.000 0.633 56 G HN 0.786 nan 8.290 nan 0.000 0.506 57 A N -1.044 121.540 122.820 -0.392 0.000 1.999 57 A HA 0.598 4.851 4.320 -0.112 0.000 0.200 57 A C 0.676 178.192 177.584 -0.114 0.000 1.363 57 A CA 1.888 53.836 52.037 -0.148 0.000 0.844 57 A CB 0.492 19.417 19.000 -0.125 0.000 0.954 57 A HN 0.457 nan 8.150 nan 0.000 0.481 58 D N -3.200 117.101 120.400 -0.165 0.000 2.626 58 D HA 0.405 4.977 4.640 -0.112 0.000 0.278 58 D C -1.374 174.913 176.300 -0.021 0.000 1.211 58 D CA -0.715 53.182 54.000 -0.170 0.000 0.903 58 D CB 0.655 41.410 40.800 -0.075 0.000 1.408 58 D HN 0.263 nan 8.370 nan 0.000 0.454 59 W N 1.100 122.582 121.300 0.303 0.000 2.170 59 W HA 0.181 4.775 4.660 -0.110 0.000 0.342 59 W C 1.067 177.750 176.519 0.273 0.000 1.294 59 W CA -0.482 57.109 57.345 0.410 0.000 1.246 59 W CB 0.423 30.219 29.460 0.562 0.000 1.156 59 W HN -0.070 nan 8.180 nan 0.000 0.572 60 K N 3.760 124.487 120.400 0.546 0.000 2.502 60 K HA 0.292 4.545 4.320 -0.112 0.000 0.244 60 K C 0.740 177.491 176.600 0.251 0.000 1.249 60 K CA 0.402 56.870 56.287 0.301 0.000 1.193 60 K CB -0.281 32.370 32.500 0.252 0.000 1.674 60 K HN 0.816 nan 8.250 nan 0.000 0.302 61 G N 1.795 110.741 108.800 0.244 0.000 2.498 61 G HA2 -0.289 3.604 3.960 -0.112 0.000 0.245 61 G HA3 -0.289 3.604 3.960 -0.112 0.000 0.245 61 G C -0.284 174.710 174.900 0.156 0.000 1.204 61 G CA -0.721 44.476 45.100 0.161 0.000 0.933 61 G HN 0.397 nan 8.290 nan 0.000 0.574 62 I N 3.213 123.795 120.570 0.021 0.000 2.460 62 I HA 0.455 4.558 4.170 -0.112 0.000 0.298 62 I C -1.957 174.010 176.117 -0.251 0.000 0.989 62 I CA -2.206 59.043 61.300 -0.086 0.000 1.173 62 I CB 2.449 40.404 38.000 -0.076 0.000 1.338 62 I HN 0.351 nan 8.210 nan 0.000 0.456 63 P HA 0.193 nan 4.420 nan 0.000 0.286 63 P C -1.093 175.996 177.300 -0.352 0.000 1.269 63 P CA -0.389 62.302 63.100 -0.682 0.000 0.787 63 P CB 1.294 32.189 31.700 -1.341 0.000 0.920 64 M N 4.784 124.155 119.600 -0.381 0.000 2.227 64 M HA 0.403 4.816 4.480 -0.112 0.000 0.335 64 M C -1.013 175.169 176.300 -0.197 0.000 1.053 64 M CA -0.685 54.466 55.300 -0.247 0.000 0.973 64 M CB 1.121 33.617 32.600 -0.172 0.000 1.623 64 M HN 0.334 nan 8.290 nan 0.000 0.434 65 M N 6.001 125.525 119.600 -0.127 0.000 2.383 65 M HA 0.548 4.961 4.480 -0.112 0.000 0.325 65 M C -1.136 175.151 176.300 -0.022 0.000 1.092 65 M CA -0.553 54.750 55.300 0.004 0.000 0.961 65 M CB 2.071 34.708 32.600 0.062 0.000 1.672 65 M HN 0.587 nan 8.290 nan 0.000 0.438 66 I N 2.327 122.923 120.570 0.044 0.000 2.493 66 I HA 0.357 4.460 4.170 -0.112 0.000 0.279 66 I C 0.302 176.442 176.117 0.038 0.000 1.045 66 I CA -0.682 60.641 61.300 0.039 0.000 1.106 66 I CB 1.699 39.720 38.000 0.036 0.000 1.216 66 I HN 0.749 nan 8.210 nan 0.000 0.459 67 G N 7.101 115.905 108.800 0.007 0.000 2.339 67 G HA2 0.643 4.536 3.960 -0.112 0.000 0.287 67 G HA3 0.643 4.536 3.960 -0.112 0.000 0.287 67 G C -0.634 174.154 174.900 -0.186 0.000 1.163 67 G CA -0.329 44.731 45.100 -0.067 0.000 0.872 67 G HN 0.452 nan 8.290 nan 0.000 0.464 68 L N 3.711 124.800 121.223 -0.223 0.000 2.322 68 L HA 0.324 4.597 4.340 -0.112 0.000 0.281 68 L C -1.653 175.001 176.870 -0.361 0.000 1.014 68 L CA -2.098 52.537 54.840 -0.341 0.000 0.815 68 L CB 2.882 44.811 42.059 -0.217 0.000 1.247 68 L HN 0.322 nan 8.230 nan 0.000 0.421 69 P HA -0.141 nan 4.420 nan 0.000 0.234 69 P C 0.178 177.325 177.300 -0.255 0.000 1.162 69 P CA 0.779 63.710 63.100 -0.282 0.000 0.759 69 P CB -0.127 31.451 31.700 -0.203 0.000 0.813 70 D N -2.029 118.116 120.400 -0.425 0.000 2.358 70 D HA -0.014 4.559 4.640 -0.112 0.000 0.224 70 D C 0.389 176.505 176.300 -0.307 0.000 1.123 70 D CA -0.201 53.479 54.000 -0.533 0.000 0.833 70 D CB -0.321 39.962 40.800 -0.862 0.000 0.946 70 D HN -0.147 nan 8.370 nan 0.000 0.505 71 Q N -1.255 118.401 119.800 -0.240 0.000 2.493 71 Q HA -0.186 4.087 4.340 -0.112 0.000 0.260 71 Q C -0.367 175.523 176.000 -0.184 0.000 0.905 71 Q CA 0.361 56.052 55.803 -0.187 0.000 1.140 71 Q CB -2.524 26.119 28.738 -0.159 0.000 1.435 71 Q HN 0.526 nan 8.270 nan 0.000 0.581 72 L N 0.861 121.969 121.223 -0.191 0.000 2.334 72 L HA 0.463 4.736 4.340 -0.112 0.000 0.277 72 L C -0.040 176.758 176.870 -0.120 0.000 1.075 72 L CA 0.379 55.125 54.840 -0.157 0.000 0.804 72 L CB 1.138 43.107 42.059 -0.150 0.000 1.174 72 L HN 0.136 nan 8.230 nan 0.000 0.438 73 Q N 4.637 124.382 119.800 -0.091 0.000 2.347 73 Q HA 0.529 4.802 4.340 -0.112 0.000 0.271 73 Q C -1.559 174.559 176.000 0.196 0.000 1.064 73 Q CA -0.658 55.153 55.803 0.013 0.000 0.800 73 Q CB 2.871 31.585 28.738 -0.040 0.000 1.304 73 Q HN 0.744 nan 8.270 nan 0.000 0.438 74 L N 2.944 124.319 121.223 0.253 0.000 2.346 74 L HA 0.716 4.989 4.340 -0.112 0.000 0.274 74 L C -1.691 175.396 176.870 0.363 0.000 1.007 74 L CA -0.798 54.221 54.840 0.297 0.000 0.818 74 L CB 1.187 43.312 42.059 0.110 0.000 1.284 74 L HN 0.686 nan 8.230 nan 0.000 0.424 75 F N 5.402 125.438 119.950 0.143 0.000 2.556 75 F HA 0.773 5.232 4.527 -0.113 0.000 0.314 75 F C -1.644 174.128 175.800 -0.046 0.000 1.106 75 F CA -0.515 57.430 58.000 -0.092 0.000 0.911 75 F CB 1.894 40.578 39.000 -0.528 0.000 1.190 75 F HN 0.314 nan 8.300 nan 0.000 0.448 76 V N 6.870 126.129 119.914 -1.092 0.000 3.077 76 V HA 0.457 4.510 4.120 -0.112 0.000 0.299 76 V C -1.557 174.013 176.094 -0.874 0.000 1.276 76 V CA -0.868 60.951 62.300 -0.803 0.000 0.993 76 V CB 2.411 34.047 31.823 -0.312 0.000 1.076 76 V HN 0.781 nan 8.190 nan 0.000 0.434 77 M N 5.566 124.862 119.600 -0.506 0.000 2.188 77 M HA 0.578 4.991 4.480 -0.112 0.000 0.357 77 M C -0.327 175.927 176.300 -0.076 0.000 1.204 77 M CA -0.243 54.898 55.300 -0.266 0.000 1.095 77 M CB 0.959 33.536 32.600 -0.039 0.000 1.604 77 M HN 0.710 nan 8.290 nan 0.000 0.464 78 V N 0.751 120.632 119.914 -0.056 0.000 3.074 78 V HA 0.618 4.671 4.120 -0.112 0.000 0.314 78 V C 0.356 176.450 176.094 -0.001 0.000 1.117 78 V CA -0.764 61.531 62.300 -0.009 0.000 1.014 78 V CB 2.018 33.850 31.823 0.015 0.000 1.057 78 V HN 0.838 nan 8.190 nan 0.000 0.438 79 D N 0.539 120.941 120.400 0.002 0.000 2.346 79 D HA 0.080 4.653 4.640 -0.112 0.000 0.206 79 D C 0.587 176.882 176.300 -0.008 0.000 1.001 79 D CA 0.500 54.512 54.000 0.020 0.000 0.871 79 D CB 0.383 41.216 40.800 0.055 0.000 0.943 79 D HN 0.889 nan 8.370 nan 0.000 0.518 80 R N -1.077 119.399 120.500 -0.039 0.000 2.692 80 R HA 0.517 4.790 4.340 -0.112 0.000 0.269 80 R C -1.260 174.947 176.300 -0.155 0.000 1.030 80 R CA -0.984 55.066 56.100 -0.083 0.000 0.882 80 R CB 1.008 31.283 30.300 -0.041 0.000 1.250 80 R HN -0.236 nan 8.270 nan 0.000 0.465 81 R N 0.989 121.312 120.500 -0.295 0.000 2.265 81 R HA 0.275 4.548 4.340 -0.112 0.000 0.314 81 R C -1.144 175.072 176.300 -0.140 0.000 1.053 81 R CA -0.451 55.388 56.100 -0.435 0.000 0.931 81 R CB 0.801 30.679 30.300 -0.702 0.000 1.024 81 R HN 0.650 nan 8.270 nan 0.000 0.457 82 D N 0.890 121.288 120.400 -0.004 0.000 2.788 82 D HA 0.068 4.641 4.640 -0.112 0.000 0.247 82 D C 0.810 177.096 176.300 -0.025 0.000 1.236 82 D CA -0.540 53.450 54.000 -0.017 0.000 0.898 82 D CB 1.514 42.330 40.800 0.026 0.000 1.401 82 D HN 0.545 nan 8.370 nan 0.000 0.549 83 T N 0.941 115.392 114.554 -0.171 0.000 2.962 83 T HA -0.096 4.187 4.350 -0.112 0.000 0.270 83 T C 1.213 175.840 174.700 -0.122 0.000 1.088 83 T CA 0.691 62.658 62.100 -0.222 0.000 1.127 83 T CB -0.220 68.388 68.868 -0.434 0.000 0.883 83 T HN 0.304 nan 8.240 nan 0.000 0.493 84 F N 2.023 121.911 119.950 -0.103 0.000 2.732 84 F HA 0.503 4.962 4.527 -0.113 0.000 0.303 84 F C 1.854 177.655 175.800 0.001 0.000 1.110 84 F CA -1.494 56.473 58.000 -0.055 0.000 1.355 84 F CB -0.781 38.205 39.000 -0.023 0.000 1.081 84 F HN 0.372 nan 8.300 nan 0.000 0.565 85 G N 1.235 110.132 108.800 0.162 0.000 2.350 85 G HA2 -0.258 3.635 3.960 -0.112 0.000 0.298 85 G HA3 -0.258 3.635 3.960 -0.112 0.000 0.298 85 G C 0.073 175.034 174.900 0.102 0.000 1.037 85 G CA 0.371 45.543 45.100 0.121 0.000 1.074 85 G HN 0.262 nan 8.290 nan 0.000 0.511 86 S N 1.159 116.913 115.700 0.091 0.000 2.520 86 S HA 0.658 5.061 4.470 -0.112 0.000 0.324 86 S C -0.056 174.487 174.600 -0.096 0.000 1.069 86 S CA -0.520 57.686 58.200 0.010 0.000 1.121 86 S CB 1.473 64.730 63.200 0.095 0.000 0.971 86 S HN 0.857 nan 8.310 nan 0.000 0.463 87 Q N 2.163 121.797 119.800 -0.276 0.000 2.435 87 Q HA 0.380 4.653 4.340 -0.112 0.000 0.282 87 Q C -1.589 173.997 176.000 -0.690 0.000 1.020 87 Q CA -0.815 54.781 55.803 -0.345 0.000 0.820 87 Q CB 0.496 29.112 28.738 -0.204 0.000 1.436 87 Q HN 0.590 nan 8.270 nan 0.000 0.395 88 H N 0.798 119.655 119.070 -0.354 0.000 2.629 88 H HA 0.361 4.851 4.556 -0.110 0.000 0.357 88 H C -0.838 174.214 175.328 -0.459 0.000 1.121 88 H CA 0.365 56.174 56.048 -0.399 0.000 1.406 88 H CB 0.362 30.036 29.762 -0.147 0.000 1.456 88 H HN 0.392 nan 8.280 nan 0.000 0.579 89 Y N 2.022 122.282 120.300 -0.066 0.000 2.350 89 Y HA 0.131 4.616 4.550 -0.109 0.000 0.340 89 Y C 0.765 176.674 175.900 0.015 0.000 1.006 89 Y CA -0.461 57.549 58.100 -0.151 0.000 1.166 89 Y CB 0.498 38.645 38.460 -0.521 0.000 1.168 89 Y HN 0.539 nan 8.280 nan 0.000 0.502 90 L N 2.098 123.405 121.223 0.139 0.000 2.585 90 L HA 0.168 4.441 4.340 -0.112 0.000 0.226 90 L C 0.543 177.500 176.870 0.144 0.000 1.113 90 L CA 0.145 55.060 54.840 0.126 0.000 0.876 90 L CB 0.079 42.196 42.059 0.096 0.000 1.072 90 L HN 0.646 nan 8.230 nan 0.000 0.468 91 S N -2.929 112.858 115.700 0.145 0.000 2.651 91 S HA 0.449 4.852 4.470 -0.112 0.000 0.279 91 S C -0.861 173.830 174.600 0.152 0.000 1.148 91 S CA -1.028 57.276 58.200 0.174 0.000 0.837 91 S CB 2.201 65.523 63.200 0.204 0.000 1.138 91 S HN -0.131 nan 8.310 nan 0.000 0.478 92 D N 0.479 120.973 120.400 0.156 0.000 2.384 92 D HA 0.393 4.966 4.640 -0.112 0.000 0.244 92 D C -0.253 176.018 176.300 -0.049 0.000 1.251 92 D CA -0.143 53.877 54.000 0.033 0.000 0.961 92 D CB 0.777 41.549 40.800 -0.046 0.000 1.116 92 D HN 0.399 nan 8.370 nan 0.000 0.484 93 V N 1.479 121.294 119.914 -0.165 0.000 2.439 93 V HA 0.184 4.237 4.120 -0.112 0.000 0.282 93 V C -0.623 175.316 176.094 -0.257 0.000 1.039 93 V CA -0.445 61.778 62.300 -0.129 0.000 0.913 93 V CB 0.363 32.127 31.823 -0.098 0.000 0.983 93 V HN 0.325 nan 8.190 nan 0.000 0.460 94 Y N 4.826 125.252 120.300 0.209 0.000 2.387 94 Y HA 0.687 5.170 4.550 -0.111 0.000 0.336 94 Y C 0.136 176.337 175.900 0.501 0.000 1.067 94 Y CA -0.591 57.710 58.100 0.335 0.000 1.114 94 Y CB 1.531 40.155 38.460 0.273 0.000 1.208 94 Y HN 0.393 nan 8.280 nan 0.000 0.458 95 L N 3.442 125.015 121.223 0.582 0.000 2.323 95 L HA 0.728 5.001 4.340 -0.112 0.000 0.265 95 L C -0.524 176.432 176.870 0.144 0.000 1.012 95 L CA -1.116 53.933 54.840 0.348 0.000 0.820 95 L CB 2.607 44.744 42.059 0.129 0.000 1.334 95 L HN 0.566 nan 8.230 nan 0.000 0.427 96 R N 1.513 121.900 120.500 -0.188 0.000 2.629 96 R HA 0.496 4.769 4.340 -0.112 0.000 0.266 96 R C -1.743 174.357 176.300 -0.332 0.000 1.051 96 R CA -0.468 55.329 56.100 -0.505 0.000 0.895 96 R CB 2.856 32.367 30.300 -1.315 0.000 1.246 96 R HN 0.714 nan 8.270 nan 0.000 0.459 101 D N -0.601 119.621 120.400 -0.297 0.000 3.814 101 D HA -0.107 4.466 4.640 -0.112 0.000 0.219 101 D C -0.312 175.887 176.300 -0.168 0.000 1.296 101 D CA 0.628 54.527 54.000 -0.168 0.000 0.799 101 D CB -0.756 40.008 40.800 -0.060 0.000 0.437 101 D HN 0.591 nan 8.370 nan 0.000 0.185 102 W N 2.131 123.431 121.300 -0.001 0.000 2.158 102 W HA 0.387 4.978 4.660 -0.116 0.000 0.339 102 W C 1.184 177.798 176.519 0.157 0.000 1.294 102 W CA 0.066 57.448 57.345 0.063 0.000 1.231 102 W CB 0.564 30.004 29.460 -0.033 0.000 1.143 102 W HN 0.176 nan 8.180 nan 0.000 0.571 103 Q N 1.586 121.715 119.800 0.549 0.000 2.379 103 Q HA 0.373 4.646 4.340 -0.112 0.000 0.278 103 Q C -1.480 174.744 176.000 0.374 0.000 1.068 103 Q CA -0.954 55.082 55.803 0.389 0.000 0.816 103 Q CB 2.650 31.502 28.738 0.190 0.000 1.387 103 Q HN 0.521 nan 8.270 nan 0.000 0.413 104 C N 3.602 123.013 119.300 0.185 0.000 2.250 104 C HA 0.601 4.994 4.460 -0.112 0.000 0.319 104 C C -2.333 172.647 174.990 -0.018 0.000 1.124 104 C CA -1.501 57.441 59.018 -0.127 0.000 1.527 104 C CB -0.481 27.045 27.740 -0.358 0.000 2.001 104 C HN 0.541 nan 8.230 nan 0.000 0.435 105 P HA 0.359 nan 4.420 nan 0.000 0.281 105 P C -0.353 176.956 177.300 0.016 0.000 1.249 105 P CA -0.086 63.021 63.100 0.012 0.000 0.810 105 P CB 0.701 32.402 31.700 0.002 0.000 1.008 106 D N 0.422 120.848 120.400 0.043 0.000 2.352 106 D HA -0.059 4.514 4.640 -0.112 0.000 0.238 106 D C 1.147 177.509 176.300 0.103 0.000 1.286 106 D CA -0.175 53.873 54.000 0.081 0.000 0.923 106 D CB 0.132 40.988 40.800 0.094 0.000 1.146 106 D HN 0.273 nan 8.370 nan 0.000 0.471 107 F N 0.947 120.898 119.950 0.002 0.000 2.024 107 F HA -0.301 4.166 4.527 -0.100 0.000 0.296 107 F C 2.183 178.002 175.800 0.031 0.000 1.137 107 F CA 2.055 60.058 58.000 0.004 0.000 1.200 107 F CB -0.164 38.833 39.000 -0.005 0.000 0.954 107 F HN 0.398 nan 8.300 nan 0.000 0.497 108 E N 0.020 120.303 120.200 0.137 0.000 2.049 108 E HA -0.241 4.042 4.350 -0.112 0.000 0.198 108 E C -0.101 176.526 176.600 0.045 0.000 1.007 108 E CA 1.968 58.414 56.400 0.076 0.000 0.809 108 E CB -1.674 28.133 29.700 0.177 0.000 0.749 108 E HN 0.383 nan 8.360 nan 0.000 0.450 109 P HA -0.162 nan 4.420 nan 0.000 0.218 109 P C 1.539 178.812 177.300 -0.044 0.000 1.148 109 P CA 0.869 63.971 63.100 0.003 0.000 0.822 109 P CB -0.010 31.696 31.700 0.009 0.000 0.784 110 L N -0.530 120.643 121.223 -0.084 0.000 2.007 110 L HA -0.100 4.172 4.340 -0.112 0.000 0.205 110 L C 2.149 178.930 176.870 -0.148 0.000 1.073 110 L CA 1.782 56.554 54.840 -0.113 0.000 0.744 110 L CB -1.309 40.674 42.059 -0.125 0.000 0.898 110 L HN -0.219 nan 8.230 nan 0.000 0.435 111 V N 0.890 120.649 119.914 -0.258 0.000 2.278 111 V HA -0.393 3.660 4.120 -0.112 0.000 0.251 111 V C 2.891 178.974 176.094 -0.018 0.000 1.062 111 V CA 2.026 64.203 62.300 -0.206 0.000 1.038 111 V CB -1.873 29.720 31.823 -0.383 0.000 0.646 111 V HN 0.662 nan 8.190 nan 0.000 0.447 112 A N -0.054 122.793 122.820 0.045 0.000 1.873 112 A HA -0.287 3.966 4.320 -0.112 0.000 0.218 112 A C 2.384 179.886 177.584 -0.137 0.000 1.193 112 A CA 2.344 54.308 52.037 -0.121 0.000 0.629 112 A CB -0.583 18.279 19.000 -0.229 0.000 0.826 112 A HN 0.540 nan 8.150 nan 0.000 0.447 113 R N -0.732 119.704 120.500 -0.106 0.000 2.081 113 R HA -0.018 4.255 4.340 -0.112 0.000 0.235 113 R C 2.121 178.363 176.300 -0.098 0.000 1.131 113 R CA 1.434 57.474 56.100 -0.100 0.000 0.960 113 R CB -0.505 29.747 30.300 -0.080 0.000 0.856 113 R HN 0.516 nan 8.270 nan 0.000 0.436 114 L N 0.347 121.516 121.223 -0.089 0.000 2.131 114 L HA -0.189 4.084 4.340 -0.112 0.000 0.210 114 L C 2.284 179.097 176.870 -0.096 0.000 1.092 114 L CA 0.631 55.418 54.840 -0.090 0.000 0.759 114 L CB -0.290 41.718 42.059 -0.086 0.000 0.903 114 L HN 0.203 nan 8.230 nan 0.000 0.435 115 L N 0.025 121.202 121.223 -0.077 0.000 2.044 115 L HA -0.053 4.220 4.340 -0.112 0.000 0.205 115 L C 2.679 179.491 176.870 -0.096 0.000 1.075 115 L CA 1.896 56.695 54.840 -0.068 0.000 0.747 115 L CB -0.778 41.274 42.059 -0.011 0.000 0.903 115 L HN 0.124 nan 8.230 nan 0.000 0.435 116 A N -0.501 122.257 122.820 -0.104 0.000 1.997 116 A HA -0.227 4.026 4.320 -0.112 0.000 0.221 116 A C 2.400 179.934 177.584 -0.084 0.000 1.172 116 A CA 2.036 54.016 52.037 -0.095 0.000 0.645 116 A CB -1.069 17.866 19.000 -0.108 0.000 0.813 116 A HN 0.580 nan 8.150 nan 0.000 0.454 117 A N -1.086 121.664 122.820 -0.117 0.000 1.854 117 A HA -0.110 4.143 4.320 -0.112 0.000 0.214 117 A C 2.338 179.822 177.584 -0.168 0.000 1.192 117 A CA 1.520 53.474 52.037 -0.139 0.000 0.611 117 A CB -1.279 17.630 19.000 -0.151 0.000 0.832 117 A HN 0.600 nan 8.150 nan 0.000 0.442 118 C N -0.450 118.691 119.300 -0.266 0.000 2.413 118 C HA -0.118 4.275 4.460 -0.112 0.000 0.277 118 C C 2.619 177.456 174.990 -0.255 0.000 1.228 118 C CA 1.246 59.984 59.018 -0.467 0.000 1.731 118 C CB -1.477 25.962 27.740 -0.501 0.000 2.042 118 C HN 0.694 nan 8.230 nan 0.000 0.468 119 E N -0.648 119.475 120.200 -0.127 0.000 2.187 119 E HA -0.274 4.009 4.350 -0.112 0.000 0.199 119 E C 2.052 178.627 176.600 -0.041 0.000 1.004 119 E CA 1.298 57.661 56.400 -0.062 0.000 0.813 119 E CB -0.324 29.348 29.700 -0.046 0.000 0.736 119 E HN 0.731 nan 8.360 nan 0.000 0.468 120 H N 0.598 119.597 119.070 -0.118 0.000 2.363 120 H HA -0.038 4.437 4.556 -0.134 0.000 0.301 120 H C 2.107 177.389 175.328 -0.078 0.000 1.074 120 H CA 1.227 57.218 56.048 -0.095 0.000 1.354 120 H CB 0.057 29.755 29.762 -0.107 0.000 1.397 120 H HN 0.143 nan 8.280 nan 0.000 0.516 121 I N 0.808 121.387 120.570 0.014 0.000 2.127 121 I HA -0.261 3.842 4.170 -0.112 0.000 0.241 121 I C 2.864 178.988 176.117 0.012 0.000 1.075 121 I CA 1.280 62.595 61.300 0.026 0.000 1.334 121 I CB -0.440 37.557 38.000 -0.004 0.000 1.040 121 I HN 0.231 nan 8.210 nan 0.000 0.405 122 A N 0.204 123.029 122.820 0.007 0.000 2.121 122 A HA 0.086 4.339 4.320 -0.112 0.000 0.218 122 A C 2.006 179.585 177.584 -0.009 0.000 1.154 122 A CA 1.123 53.193 52.037 0.054 0.000 0.679 122 A CB -0.877 18.175 19.000 0.087 0.000 0.795 122 A HN 0.661 nan 8.150 nan 0.000 0.458 123 G N -1.474 107.282 108.800 -0.073 0.000 2.155 123 G HA2 -0.275 3.618 3.960 -0.112 0.000 0.257 123 G HA3 -0.275 3.618 3.960 -0.112 0.000 0.257 123 G C 0.225 175.088 174.900 -0.062 0.000 0.983 123 G CA 0.617 45.656 45.100 -0.102 0.000 0.676 123 G HN 0.702 nan 8.290 nan 0.000 0.528 124 R N -0.617 119.860 120.500 -0.038 0.000 2.651 124 R HA 0.527 4.800 4.340 -0.112 0.000 0.278 124 R C -0.411 175.879 176.300 -0.017 0.000 1.010 124 R CA -0.922 55.166 56.100 -0.021 0.000 0.896 124 R CB 1.652 31.949 30.300 -0.004 0.000 1.211 124 R HN 0.151 nan 8.270 nan 0.000 0.456 125 K N 1.291 121.682 120.400 -0.015 0.000 2.118 125 K HA 0.334 4.587 4.320 -0.112 0.000 0.254 125 K C -0.362 176.238 176.600 0.000 0.000 0.961 125 K CA -0.862 55.416 56.287 -0.014 0.000 0.876 125 K CB 1.152 33.639 32.500 -0.022 0.000 1.077 125 K HN 0.313 nan 8.250 nan 0.000 0.440 126 N N 2.616 121.320 118.700 0.006 0.000 2.725 126 N HA 0.145 4.818 4.740 -0.112 0.000 0.248 126 N C -2.256 173.282 175.510 0.046 0.000 1.402 126 N CA -1.630 51.434 53.050 0.025 0.000 0.766 126 N CB 1.098 39.602 38.487 0.028 0.000 1.223 126 N HN 0.274 nan 8.380 nan 0.000 0.515 127 P HA -0.077 nan 4.420 nan 0.000 0.225 127 P C 0.920 178.291 177.300 0.118 0.000 1.148 127 P CA 0.837 63.985 63.100 0.080 0.000 0.779 127 P CB 0.782 32.508 31.700 0.043 0.000 0.780 128 E N -0.119 120.126 120.200 0.077 0.000 2.106 128 E HA -0.130 4.153 4.350 -0.112 0.000 0.192 128 E C 1.879 178.519 176.600 0.067 0.000 0.984 128 E CA 0.531 56.969 56.400 0.064 0.000 0.806 128 E CB -0.982 28.744 29.700 0.045 0.000 0.750 128 E HN -0.005 nan 8.360 nan 0.000 0.458 129 L N -0.076 121.190 121.223 0.072 0.000 2.017 129 L HA -0.139 4.134 4.340 -0.112 0.000 0.208 129 L C 2.097 179.016 176.870 0.082 0.000 1.073 129 L CA 1.918 56.796 54.840 0.064 0.000 0.745 129 L CB -1.092 40.998 42.059 0.052 0.000 0.894 129 L HN 0.319 nan 8.230 nan 0.000 0.432 130 Y N 0.356 120.653 120.300 -0.005 0.000 2.165 130 Y HA -0.262 4.215 4.550 -0.123 0.000 0.286 130 Y C 2.414 178.322 175.900 0.012 0.000 1.155 130 Y CA 2.063 60.158 58.100 -0.008 0.000 1.164 130 Y CB -0.071 38.377 38.460 -0.020 0.000 0.978 130 Y HN 0.284 nan 8.280 nan 0.000 0.513 131 E N 0.480 120.670 120.200 -0.017 0.000 2.058 131 E HA -0.253 4.030 4.350 -0.112 0.000 0.194 131 E C 2.129 178.673 176.600 -0.094 0.000 0.997 131 E CA 1.828 58.181 56.400 -0.077 0.000 0.801 131 E CB -0.495 29.219 29.700 0.024 0.000 0.746 131 E HN 0.699 nan 8.360 nan 0.000 0.450 132 Q N 0.094 119.870 119.800 -0.040 0.000 2.124 132 Q HA -0.099 4.174 4.340 -0.112 0.000 0.202 132 Q C 2.420 178.407 176.000 -0.021 0.000 0.977 132 Q CA 1.016 56.805 55.803 -0.023 0.000 0.850 132 Q CB -0.193 28.550 28.738 0.008 0.000 0.901 132 Q HN 0.311 nan 8.270 nan 0.000 0.429 133 I N 0.607 121.149 120.570 -0.046 0.000 2.127 133 I HA -0.313 3.790 4.170 -0.112 0.000 0.241 133 I C 2.216 178.331 176.117 -0.002 0.000 1.075 133 I CA 1.196 62.486 61.300 -0.017 0.000 1.334 133 I CB -0.353 37.617 38.000 -0.051 0.000 1.040 133 I HN 0.219 nan 8.210 nan 0.000 0.405 134 L N 0.172 121.318 121.223 -0.128 0.000 2.042 134 L HA -0.266 4.007 4.340 -0.112 0.000 0.210 134 L C 2.725 179.589 176.870 -0.011 0.000 1.076 134 L CA 1.628 56.436 54.840 -0.053 0.000 0.749 134 L CB -0.702 41.239 42.059 -0.197 0.000 0.893 134 L HN 0.427 nan 8.230 nan 0.000 0.432 135 Q N -0.544 119.234 119.800 -0.036 0.000 2.119 135 Q HA -0.220 4.053 4.340 -0.112 0.000 0.201 135 Q C 2.354 178.349 176.000 -0.009 0.000 0.972 135 Q CA 1.927 57.715 55.803 -0.025 0.000 0.847 135 Q CB 0.025 28.739 28.738 -0.040 0.000 0.903 135 Q HN 0.346 nan 8.270 nan 0.000 0.433 136 S N -0.142 115.564 115.700 0.010 0.000 2.368 136 S HA -0.187 4.216 4.470 -0.112 0.000 0.224 136 S C 1.950 176.580 174.600 0.049 0.000 1.029 136 S CA 1.299 59.519 58.200 0.033 0.000 0.988 136 S CB -0.249 62.989 63.200 0.063 0.000 0.838 136 S HN 0.496 nan 8.310 nan 0.000 0.462 137 Q N 0.870 120.702 119.800 0.052 0.000 2.124 137 Q HA -0.090 4.183 4.340 -0.112 0.000 0.202 137 Q C 2.066 178.035 176.000 -0.052 0.000 0.977 137 Q CA 1.285 57.081 55.803 -0.013 0.000 0.850 137 Q CB -0.215 28.477 28.738 -0.076 0.000 0.901 137 Q HN 0.571 nan 8.270 nan 0.000 0.429 138 R N -0.054 120.428 120.500 -0.030 0.000 2.189 138 R HA -0.063 4.210 4.340 -0.112 0.000 0.218 138 R C 2.293 178.598 176.300 0.007 0.000 1.074 138 R CA 0.574 56.658 56.100 -0.027 0.000 0.991 138 R CB -0.155 30.136 30.300 -0.016 0.000 0.883 138 R HN 0.193 nan 8.270 nan 0.000 0.457 139 L N 0.476 121.714 121.223 0.026 0.000 2.179 139 L HA -0.042 4.231 4.340 -0.112 0.000 0.208 139 L C 1.950 178.871 176.870 0.086 0.000 1.096 139 L CA 1.096 55.976 54.840 0.067 0.000 0.779 139 L CB 0.108 42.204 42.059 0.062 0.000 0.922 139 L HN -0.171 nan 8.230 nan 0.000 0.443 140 V N -1.139 118.816 119.914 0.068 0.000 2.515 140 V HA -0.217 3.836 4.120 -0.112 0.000 0.250 140 V C 2.705 178.822 176.094 0.039 0.000 1.058 140 V CA 1.616 63.969 62.300 0.089 0.000 1.064 140 V CB -0.581 31.345 31.823 0.172 0.000 0.675 140 V HN 0.619 nan 8.190 nan 0.000 0.461 141 S N 0.306 116.008 115.700 0.003 0.000 2.368 141 S HA -0.176 4.227 4.470 -0.112 0.000 0.225 141 S C 2.174 176.772 174.600 -0.004 0.000 1.030 141 S CA 1.634 59.820 58.200 -0.024 0.000 0.999 141 S CB -0.288 62.883 63.200 -0.048 0.000 0.844 141 S HN 0.597 nan 8.310 nan 0.000 0.459 142 A N 1.489 124.338 122.820 0.049 0.000 1.877 142 A HA -0.009 4.244 4.320 -0.112 0.000 0.216 142 A C 2.138 179.756 177.584 0.056 0.000 1.186 142 A CA 1.626 53.741 52.037 0.129 0.000 0.620 142 A CB -0.894 18.251 19.000 0.241 0.000 0.822 142 A HN 0.625 nan 8.150 nan 0.000 0.443 143 I N -0.496 120.063 120.570 -0.017 0.000 2.099 143 I HA -0.249 3.854 4.170 -0.112 0.000 0.239 143 I C 2.342 178.219 176.117 -0.400 0.000 1.066 143 I CA 1.469 62.611 61.300 -0.263 0.000 1.324 143 I CB -0.411 37.519 38.000 -0.118 0.000 1.037 143 I HN 0.155 nan 8.210 nan 0.000 0.401 144 V N -0.126 119.609 119.914 -0.299 0.000 2.490 144 V HA -0.293 3.760 4.120 -0.112 0.000 0.250 144 V C 2.555 178.479 176.094 -0.284 0.000 1.061 144 V CA 2.153 64.241 62.300 -0.353 0.000 1.064 144 V CB -0.495 31.234 31.823 -0.157 0.000 0.670 144 V HN 0.479 nan 8.190 nan 0.000 0.461 145 S N -0.950 114.644 115.700 -0.175 0.000 2.387 145 S HA -0.228 4.175 4.470 -0.112 0.000 0.226 145 S C 2.041 176.571 174.600 -0.116 0.000 1.026 145 S CA 1.708 59.842 58.200 -0.110 0.000 0.972 145 S CB -0.296 62.885 63.200 -0.032 0.000 0.814 145 S HN 0.827 nan 8.310 nan 0.000 0.477 146 H N 1.584 120.489 119.070 -0.276 0.000 2.363 146 H HA 0.221 4.709 4.556 -0.112 0.000 0.301 146 H C 1.514 176.636 175.328 -0.343 0.000 1.074 146 H CA 1.903 57.768 56.048 -0.304 0.000 1.354 146 H CB -0.066 29.363 29.762 -0.556 0.000 1.397 146 H HN 0.386 nan 8.280 nan 0.000 0.516 147 N N -0.193 118.210 118.700 -0.496 0.000 2.230 147 N HA 0.039 4.712 4.740 -0.112 0.000 0.202 147 N C 1.532 176.765 175.510 -0.462 0.000 1.119 147 N CA 0.638 53.347 53.050 -0.569 0.000 0.851 147 N CB 0.627 38.544 38.487 -0.951 0.000 0.990 147 N HN 0.426 nan 8.380 nan 0.000 0.497 148 G N 0.850 109.431 108.800 -0.366 0.000 2.559 148 G HA2 -0.183 3.710 3.960 -0.112 0.000 0.216 148 G HA3 -0.183 3.710 3.960 -0.112 0.000 0.216 148 G C 1.588 176.384 174.900 -0.174 0.000 1.126 148 G CA 0.196 45.140 45.100 -0.260 0.000 0.778 148 G HN 0.259 nan 8.290 nan 0.000 0.543 149 R N -0.555 119.842 120.500 -0.171 0.000 2.334 149 R HA 0.173 4.446 4.340 -0.112 0.000 0.212 149 R C 0.643 176.888 176.300 -0.091 0.000 0.897 149 R CA -0.213 55.817 56.100 -0.116 0.000 1.056 149 R CB 0.301 30.535 30.300 -0.111 0.000 1.046 149 R HN 0.398 nan 8.270 nan 0.000 0.513 150 Q N 1.215 120.955 119.800 -0.100 0.000 2.454 150 Q HA 0.083 4.356 4.340 -0.112 0.000 0.247 150 Q C -0.036 175.955 176.000 -0.015 0.000 1.028 150 Q CA -0.045 55.729 55.803 -0.048 0.000 0.910 150 Q CB 0.816 29.540 28.738 -0.022 0.000 1.276 150 Q HN 0.026 nan 8.270 nan 0.000 0.489 151 R N 0.772 121.277 120.500 0.008 0.000 2.489 151 R HA 0.035 4.308 4.340 -0.112 0.000 0.287 151 R C 0.623 176.955 176.300 0.054 0.000 1.053 151 R CA 0.360 56.474 56.100 0.022 0.000 1.036 151 R CB 0.376 30.689 30.300 0.022 0.000 0.966 151 R HN 0.861 nan 8.270 nan 0.000 0.432 152 A N 3.643 126.496 122.820 0.056 0.000 2.084 152 A HA -0.208 4.045 4.320 -0.112 0.000 0.221 152 A C 1.010 178.665 177.584 0.117 0.000 1.161 152 A CA 1.960 54.054 52.037 0.094 0.000 0.653 152 A CB -0.301 18.746 19.000 0.078 0.000 0.802 152 A HN 0.907 nan 8.150 nan 0.000 0.457 153 D N -1.893 118.559 120.400 0.087 0.000 2.440 153 D HA 0.440 5.013 4.640 -0.112 0.000 0.216 153 D C 1.208 177.553 176.300 0.076 0.000 1.150 153 D CA 0.528 54.575 54.000 0.077 0.000 0.832 153 D CB -0.423 40.431 40.800 0.090 0.000 0.992 153 D HN 0.215 nan 8.370 nan 0.000 0.502 154 A N 1.531 124.402 122.820 0.085 0.000 1.986 154 A HA -0.090 4.163 4.320 -0.112 0.000 0.220 154 A C -0.181 177.430 177.584 0.045 0.000 1.171 154 A CA 1.118 53.202 52.037 0.078 0.000 0.640 154 A CB -1.444 17.608 19.000 0.086 0.000 0.811 154 A HN 0.274 nan 8.150 nan 0.000 0.451 155 P HA -0.075 nan 4.420 nan 0.000 0.225 155 P C 0.672 177.897 177.300 -0.124 0.000 1.148 155 P CA 0.803 63.820 63.100 -0.138 0.000 0.779 155 P CB -0.091 31.420 31.700 -0.316 0.000 0.780 156 L N -1.542 119.643 121.223 -0.063 0.000 2.700 156 L HA 0.183 4.456 4.340 -0.112 0.000 0.234 156 L C 1.539 178.492 176.870 0.140 0.000 1.156 156 L CA 0.033 54.836 54.840 -0.063 0.000 0.946 156 L CB -0.364 41.544 42.059 -0.252 0.000 1.216 156 L HN -0.111 nan 8.230 nan 0.000 0.493 157 Q N -0.474 119.419 119.800 0.154 0.000 2.424 157 Q HA 0.170 4.443 4.340 -0.112 0.000 0.204 157 Q C 0.149 176.310 176.000 0.270 0.000 0.933 157 Q CA 0.589 56.525 55.803 0.221 0.000 0.929 157 Q CB 0.518 29.353 28.738 0.161 0.000 1.037 157 Q HN 0.421 nan 8.270 nan 0.000 0.511 158 H N -1.723 117.405 119.070 0.097 0.000 3.094 158 H HA -0.032 4.456 4.556 -0.112 0.000 0.335 158 H C -0.478 174.878 175.328 0.046 0.000 1.254 158 H CA -0.487 55.619 56.048 0.098 0.000 1.240 158 H CB 0.474 30.281 29.762 0.074 0.000 1.936 158 H HN -0.041 nan 8.280 nan 0.000 0.536 159 Y N 3.894 123.898 120.300 -0.492 0.000 2.114 159 Y HA -0.267 4.216 4.550 -0.112 0.000 0.282 159 Y C 1.982 177.769 175.900 -0.189 0.000 1.165 159 Y CA 2.609 60.529 58.100 -0.301 0.000 1.148 159 Y CB 0.061 38.316 38.460 -0.341 0.000 0.972 159 Y HN 0.505 nan 8.280 nan 0.000 0.504 160 L N 0.511 121.602 121.223 -0.220 0.000 2.093 160 L HA -0.155 4.118 4.340 -0.112 0.000 0.208 160 L C 2.006 178.759 176.870 -0.195 0.000 1.085 160 L CA 1.622 56.280 54.840 -0.303 0.000 0.755 160 L CB -0.791 41.278 42.059 0.016 0.000 0.904 160 L HN 0.208 nan 8.230 nan 0.000 0.435 161 Q N -0.470 119.321 119.800 -0.014 0.000 2.124 161 Q HA -0.144 4.129 4.340 -0.112 0.000 0.202 161 Q C 2.591 178.450 176.000 -0.235 0.000 0.977 161 Q CA 1.677 57.431 55.803 -0.082 0.000 0.850 161 Q CB -0.769 27.975 28.738 0.010 0.000 0.901 161 Q HN 0.721 nan 8.270 nan 0.000 0.429 162 S N -0.128 115.403 115.700 -0.281 0.000 2.423 162 S HA -0.109 4.294 4.470 -0.112 0.000 0.231 162 S C 1.552 175.896 174.600 -0.428 0.000 1.014 162 S CA 0.785 58.773 58.200 -0.353 0.000 0.965 162 S CB 0.022 63.050 63.200 -0.287 0.000 0.785 162 S HN 0.213 nan 8.310 nan 0.000 0.495 163 E N 1.245 121.142 120.200 -0.505 0.000 2.170 163 E HA 0.039 4.322 4.350 -0.112 0.000 0.191 163 E C 2.010 178.423 176.600 -0.312 0.000 0.981 163 E CA 0.705 56.859 56.400 -0.410 0.000 0.830 163 E CB -0.266 29.170 29.700 -0.441 0.000 0.775 163 E HN 0.759 nan 8.360 nan 0.000 0.470 164 Q N -0.444 119.177 119.800 -0.299 0.000 2.403 164 Q HA 0.095 4.368 4.340 -0.112 0.000 0.203 164 Q C 1.230 176.961 176.000 -0.449 0.000 0.932 164 Q CA 0.584 56.254 55.803 -0.223 0.000 0.945 164 Q CB 0.595 29.277 28.738 -0.092 0.000 1.045 164 Q HN 0.087 nan 8.270 nan 0.000 0.511 165 G N 0.391 108.752 108.800 -0.732 0.000 3.651 165 G HA2 0.141 4.034 3.960 -0.112 0.000 0.279 165 G HA3 0.141 4.034 3.960 -0.112 0.000 0.279 165 G C 0.013 174.003 174.900 -1.518 0.000 1.024 165 G CA -0.268 43.896 45.100 -1.560 0.000 0.813 165 G HN 0.142 nan 8.290 nan 0.000 0.518 166 L N 1.138 121.868 121.223 -0.823 0.000 2.583 166 L HA 0.389 4.662 4.340 -0.112 0.000 0.239 166 L C 1.264 177.880 176.870 -0.424 0.000 1.347 166 L CA -0.838 53.675 54.840 -0.546 0.000 1.246 166 L CB -0.837 41.044 42.059 -0.296 0.000 1.496 166 L HN 0.400 nan 8.230 nan 0.000 0.413 167 W N 0.990 122.013 121.300 -0.461 0.000 2.290 167 W HA -0.319 4.273 4.660 -0.114 0.000 0.318 167 W C 1.204 177.327 176.519 -0.659 0.000 1.248 167 W CA 0.683 57.597 57.345 -0.718 0.000 1.263 167 W CB -0.520 28.177 29.460 -1.273 0.000 1.147 167 W HN 0.417 nan 8.180 nan 0.000 0.494 168 F N -0.234 119.839 119.950 0.204 0.000 2.695 168 F HA 0.459 4.919 4.527 -0.112 0.000 0.303 168 F C 1.740 177.598 175.800 0.096 0.000 1.091 168 F CA -0.013 58.070 58.000 0.138 0.000 1.300 168 F CB -0.877 38.204 39.000 0.135 0.000 1.071 168 F HN -0.006 nan 8.300 nan 0.000 0.578 169 G N 0.345 109.221 108.800 0.125 0.000 2.575 169 G HA2 -0.329 3.564 3.960 -0.112 0.000 0.267 169 G HA3 -0.329 3.564 3.960 -0.112 0.000 0.267 169 G C -0.248 174.738 174.900 0.143 0.000 1.264 169 G CA -0.081 45.069 45.100 0.083 0.000 0.935 169 G HN 0.482 nan 8.290 nan 0.000 0.568 170 H N 3.355 122.438 119.070 0.021 0.000 3.070 170 H HA 0.191 4.685 4.556 -0.104 0.000 0.313 170 H C -0.701 174.698 175.328 0.117 0.000 0.997 170 H CA -0.434 55.638 56.048 0.039 0.000 1.438 170 H CB 1.208 30.969 29.762 -0.001 0.000 1.455 170 H HN 0.266 nan 8.280 nan 0.000 0.575 171 P HA 0.021 nan 4.420 nan 0.000 0.245 171 P C -0.202 177.293 177.300 0.325 0.000 1.206 171 P CA 0.243 63.527 63.100 0.306 0.000 0.781 171 P CB 0.648 32.467 31.700 0.199 0.000 0.994 172 S N 0.068 116.042 115.700 0.457 0.000 2.139 172 S HA 0.242 4.645 4.470 -0.112 0.000 0.183 172 S C -0.547 174.043 174.600 -0.016 0.000 1.473 172 S CA -0.360 57.967 58.200 0.211 0.000 1.263 172 S CB -0.269 63.068 63.200 0.228 0.000 1.170 172 S HN 0.212 nan 8.310 nan 0.000 0.430 173 H N 1.766 120.789 119.070 -0.077 0.000 2.954 173 H HA 0.275 4.774 4.556 -0.095 0.000 0.361 173 H C -2.578 172.737 175.328 -0.021 0.000 1.122 173 H CA -1.485 54.473 56.048 -0.149 0.000 1.217 173 H CB 2.622 32.243 29.762 -0.235 0.000 1.776 173 H HN 0.015 nan 8.280 nan 0.000 0.533 174 P HA -0.010 nan 4.420 nan 0.000 0.218 174 P C 0.073 177.454 177.300 0.135 0.000 1.149 174 P CA 0.877 63.961 63.100 -0.027 0.000 0.817 174 P CB 0.620 32.248 31.700 -0.119 0.000 0.785 175 A N -0.434 122.590 122.820 0.340 0.000 3.453 175 A HA 0.382 4.635 4.320 -0.112 0.000 0.262 175 A C -1.843 175.859 177.584 0.196 0.000 1.026 175 A CA -0.841 51.343 52.037 0.245 0.000 0.938 175 A CB 0.215 19.300 19.000 0.142 0.000 1.246 175 A HN -0.016 nan 8.150 nan 0.000 0.546 176 P HA -0.137 nan 4.420 nan 0.000 0.219 176 P C 0.550 177.819 177.300 -0.052 0.000 1.146 176 P CA 1.338 64.404 63.100 -0.056 0.000 0.808 176 P CB 0.317 32.072 31.700 0.091 0.000 0.779 177 K N -0.809 119.599 120.400 0.013 0.000 2.455 177 K HA 0.314 4.566 4.320 -0.112 0.000 0.206 177 K C 0.512 177.088 176.600 -0.041 0.000 1.027 177 K CA -0.451 55.836 56.287 0.000 0.000 1.113 177 K CB 0.602 33.132 32.500 0.051 0.000 0.850 177 K HN -0.008 nan 8.250 nan 0.000 0.503 178 A N 2.218 125.011 122.820 -0.046 0.000 2.438 178 A HA 0.201 4.454 4.320 -0.112 0.000 0.280 178 A C -0.159 177.326 177.584 -0.164 0.000 1.160 178 A CA 0.011 51.997 52.037 -0.084 0.000 0.821 178 A CB -0.078 18.902 19.000 -0.032 0.000 1.101 178 A HN 0.168 nan 8.150 nan 0.000 0.515 179 R N 3.053 123.375 120.500 -0.296 0.000 2.388 179 R HA 0.419 4.692 4.340 -0.112 0.000 0.314 179 R C -1.598 174.268 176.300 -0.723 0.000 0.959 179 R CA -0.469 55.313 56.100 -0.530 0.000 0.851 179 R CB 1.377 31.222 30.300 -0.758 0.000 1.168 179 R HN 0.611 nan 8.270 nan 0.000 0.472 180 L N 4.592 125.545 121.223 -0.451 0.000 2.360 180 L HA 0.408 4.681 4.340 -0.112 0.000 0.265 180 L C -0.958 175.842 176.870 -0.117 0.000 1.066 180 L CA -0.498 54.174 54.840 -0.280 0.000 0.929 180 L CB 0.018 42.012 42.059 -0.109 0.000 1.306 180 L HN 0.538 nan 8.230 nan 0.000 0.434 181 W N 2.955 124.268 121.300 0.022 0.000 2.799 181 W HA 0.704 5.300 4.660 -0.106 0.000 0.349 181 W C -2.424 174.123 176.519 0.047 0.000 1.100 181 W CA -3.410 53.942 57.345 0.012 0.000 1.174 181 W CB -0.749 28.687 29.460 -0.041 0.000 1.427 181 W HN 0.031 nan 8.180 nan 0.000 0.547 182 P HA -0.053 nan 4.420 nan 0.000 0.255 182 P C 0.721 178.230 177.300 0.349 0.000 1.141 182 P CA 1.120 64.421 63.100 0.336 0.000 0.767 182 P CB 0.156 32.083 31.700 0.378 0.000 0.726 183 A N 4.586 127.592 122.820 0.309 0.000 2.015 183 A HA -0.189 4.064 4.320 -0.112 0.000 0.219 183 A C 1.816 179.540 177.584 0.234 0.000 1.163 183 A CA 1.123 53.312 52.037 0.252 0.000 0.646 183 A CB -1.203 17.895 19.000 0.163 0.000 0.806 183 A HN 0.749 nan 8.150 nan 0.000 0.448 184 H N -0.360 118.811 119.070 0.168 0.000 2.568 184 H HA 0.051 4.540 4.556 -0.112 0.000 0.281 184 H C 1.202 176.634 175.328 0.172 0.000 1.028 184 H CA 1.121 57.253 56.048 0.140 0.000 1.199 184 H CB -0.527 29.300 29.762 0.109 0.000 1.352 184 H HN 0.480 nan 8.280 nan 0.000 0.605 185 L N 0.011 121.097 121.223 -0.228 0.000 2.554 185 L HA 0.260 4.533 4.340 -0.112 0.000 0.225 185 L C 1.095 178.115 176.870 0.249 0.000 1.104 185 L CA 0.294 55.092 54.840 -0.070 0.000 0.866 185 L CB 0.137 42.103 42.059 -0.154 0.000 1.047 185 L HN 0.557 nan 8.230 nan 0.000 0.468 186 G N -0.000 108.965 108.800 0.275 0.000 2.829 186 G HA2 -0.214 3.679 3.960 -0.112 0.000 0.628 186 G HA3 -0.214 3.679 3.960 -0.112 0.000 0.628 186 G C -0.010 175.157 174.900 0.444 0.000 1.412 186 G CA -0.351 44.885 45.100 0.227 0.000 0.864 186 G HN 0.053 nan 8.290 nan 0.000 0.544 187 Q N -0.444 119.465 119.800 0.182 0.000 2.581 187 Q HA 0.133 4.406 4.340 -0.112 0.000 0.222 187 Q C 2.560 178.547 176.000 -0.023 0.000 0.904 187 Q CA 1.157 57.112 55.803 0.253 0.000 0.923 187 Q CB -0.283 28.505 28.738 0.085 0.000 1.117 187 Q HN 0.825 nan 8.270 nan 0.000 0.618 188 E N 1.106 121.085 120.200 -0.369 0.000 2.114 188 E HA -0.250 4.033 4.350 -0.112 0.000 0.199 188 E C 1.707 178.018 176.600 -0.481 0.000 1.008 188 E CA 1.332 57.334 56.400 -0.664 0.000 0.810 188 E CB 0.114 29.277 29.700 -0.895 0.000 0.739 188 E HN 0.190 nan 8.360 nan 0.000 0.456 189 Q N -1.225 118.154 119.800 -0.701 0.000 2.437 189 Q HA -0.127 4.146 4.340 -0.112 0.000 0.210 189 Q C 0.525 175.941 176.000 -0.973 0.000 0.972 189 Q CA 1.042 56.229 55.803 -1.026 0.000 0.903 189 Q CB -0.059 27.760 28.738 -1.532 0.000 0.967 189 Q HN 0.496 nan 8.270 nan 0.000 0.486 190 W N -1.480 119.869 121.300 0.083 0.000 2.518 190 W HA 0.586 5.178 4.660 -0.113 0.000 0.352 190 W C -0.118 176.493 176.519 0.152 0.000 0.952 190 W CA -0.609 56.801 57.345 0.108 0.000 1.624 190 W CB 0.506 30.028 29.460 0.103 0.000 1.135 190 W HN -0.189 nan 8.180 nan 0.000 0.540 191 A N 1.759 124.720 122.820 0.235 0.000 2.252 191 A HA 0.440 4.693 4.320 -0.112 0.000 0.309 191 A C -1.636 176.078 177.584 0.217 0.000 1.285 191 A CA -1.282 50.913 52.037 0.263 0.000 0.900 191 A CB 0.807 19.992 19.000 0.308 0.000 1.157 191 A HN -0.089 nan 8.150 nan 0.000 0.536 192 P HA -0.157 nan 4.420 nan 0.000 0.218 192 P C 0.663 178.043 177.300 0.133 0.000 1.148 192 P CA 1.308 64.463 63.100 0.093 0.000 0.822 192 P CB 0.275 31.985 31.700 0.016 0.000 0.784 193 E N -2.009 118.303 120.200 0.187 0.000 2.418 193 E HA -0.057 4.226 4.350 -0.112 0.000 0.197 193 E C 0.763 177.385 176.600 0.037 0.000 1.026 193 E CA 0.746 57.273 56.400 0.212 0.000 0.862 193 E CB -0.755 29.086 29.700 0.235 0.000 0.799 193 E HN 0.351 nan 8.360 nan 0.000 0.518 194 F N 0.032 120.007 119.950 0.042 0.000 2.639 194 F HA 0.168 4.628 4.527 -0.113 0.000 0.302 194 F C 0.055 175.861 175.800 0.009 0.000 1.097 194 F CA -0.361 57.567 58.000 -0.120 0.000 1.294 194 F CB 0.341 39.177 39.000 -0.274 0.000 1.027 194 F HN -0.254 nan 8.300 nan 0.000 0.550 195 Q N -0.455 119.465 119.800 0.201 0.000 2.494 195 Q HA -0.206 4.067 4.340 -0.112 0.000 0.272 195 Q C 0.410 176.494 176.000 0.140 0.000 1.145 195 Q CA 0.683 56.583 55.803 0.161 0.000 0.943 195 Q CB -2.069 26.770 28.738 0.167 0.000 1.338 195 Q HN 0.394 nan 8.270 nan 0.000 0.492 196 A N 0.538 123.438 122.820 0.134 0.000 2.555 196 A HA 0.408 4.661 4.320 -0.112 0.000 0.233 196 A C 0.373 178.039 177.584 0.136 0.000 1.060 196 A CA 0.627 52.719 52.037 0.091 0.000 0.759 196 A CB 0.388 19.426 19.000 0.063 0.000 0.995 196 A HN 0.323 nan 8.150 nan 0.000 0.506 197 R N 0.175 120.754 120.500 0.131 0.000 2.651 197 R HA 0.675 4.948 4.340 -0.112 0.000 0.278 197 R C -1.070 175.340 176.300 0.185 0.000 1.010 197 R CA -0.167 56.048 56.100 0.192 0.000 0.896 197 R CB 2.526 32.902 30.300 0.127 0.000 1.211 197 R HN 1.104 nan 8.270 nan 0.000 0.456 198 A N 1.280 124.256 122.820 0.260 0.000 2.517 198 A HA 0.737 4.990 4.320 -0.112 0.000 0.297 198 A C -1.126 176.463 177.584 0.008 0.000 1.050 198 A CA -0.672 51.472 52.037 0.179 0.000 0.694 198 A CB 1.691 20.935 19.000 0.407 0.000 1.277 198 A HN 0.774 nan 8.150 nan 0.000 0.400 199 A N 2.004 124.796 122.820 -0.048 0.000 2.488 199 A HA 0.542 4.795 4.320 -0.112 0.000 0.249 199 A C 0.340 177.781 177.584 -0.238 0.000 1.083 199 A CA -0.033 51.917 52.037 -0.145 0.000 0.768 199 A CB -0.434 18.492 19.000 -0.123 0.000 1.017 199 A HN 0.926 nan 8.150 nan 0.000 0.496 200 L N 1.347 122.336 121.223 -0.388 0.000 2.479 200 L HA 0.116 4.389 4.340 -0.112 0.000 0.270 200 L C 0.880 177.591 176.870 -0.264 0.000 1.236 200 L CA 0.052 54.613 54.840 -0.464 0.000 0.823 200 L CB 0.191 41.919 42.059 -0.551 0.000 1.098 200 L HN 0.844 nan 8.230 nan 0.000 0.500 201 H N 0.428 119.331 119.070 -0.277 0.000 2.511 201 H HA 0.345 4.835 4.556 -0.111 0.000 0.346 201 H C -0.893 174.270 175.328 -0.275 0.000 1.128 201 H CA -0.230 55.664 56.048 -0.256 0.000 1.342 201 H CB 0.867 30.502 29.762 -0.211 0.000 1.470 201 H HN 0.473 nan 8.280 nan 0.000 0.546 202 Q N 3.302 122.886 119.800 -0.360 0.000 2.372 202 Q HA 0.331 4.604 4.340 -0.112 0.000 0.273 202 Q C -1.464 174.253 176.000 -0.471 0.000 1.078 202 Q CA -0.752 54.888 55.803 -0.271 0.000 0.806 202 Q CB 2.397 30.994 28.738 -0.234 0.000 1.332 202 Q HN 0.502 nan 8.270 nan 0.000 0.435 203 F N 0.335 120.278 119.950 -0.010 0.000 2.561 203 F HA 0.346 4.806 4.527 -0.112 0.000 0.321 203 F C 0.084 175.814 175.800 -0.117 0.000 1.065 203 F CA -0.823 57.152 58.000 -0.042 0.000 0.934 203 F CB 1.897 40.868 39.000 -0.048 0.000 1.215 203 F HN 0.419 nan 8.300 nan 0.000 0.471 204 E N 2.296 122.523 120.200 0.045 0.000 2.174 204 E HA 0.606 4.889 4.350 -0.112 0.000 0.282 204 E C -1.574 174.945 176.600 -0.134 0.000 0.992 204 E CA -0.639 55.722 56.400 -0.064 0.000 0.803 204 E CB 1.231 30.848 29.700 -0.139 0.000 1.090 204 E HN 0.490 nan 8.360 nan 0.000 0.396 205 V N 2.122 121.938 119.914 -0.163 0.000 2.876 205 V HA 0.654 4.707 4.120 -0.112 0.000 0.312 205 V C -2.576 173.525 176.094 0.012 0.000 1.085 205 V CA -2.607 59.458 62.300 -0.391 0.000 0.945 205 V CB 1.441 32.552 31.823 -1.187 0.000 1.017 205 V HN 0.621 nan 8.190 nan 0.000 0.428 206 P HA 0.165 nan 4.420 nan 0.000 0.276 206 P C 1.094 178.472 177.300 0.129 0.000 1.230 206 P CA 0.096 63.193 63.100 -0.006 0.000 0.776 206 P CB 1.714 33.424 31.700 0.016 0.000 0.888 207 V N 0.509 120.418 119.914 -0.008 0.000 2.594 207 V HA -0.221 3.832 4.120 -0.112 0.000 0.253 207 V C 1.638 177.760 176.094 0.047 0.000 1.069 207 V CA 2.216 64.541 62.300 0.043 0.000 1.082 207 V CB -1.719 30.101 31.823 -0.005 0.000 0.680 207 V HN 0.501 nan 8.190 nan 0.000 0.469 208 D N 1.643 122.056 120.400 0.021 0.000 2.378 208 D HA 0.021 4.594 4.640 -0.112 0.000 0.222 208 D C 1.712 177.951 176.300 -0.102 0.000 0.980 208 D CA 1.201 55.181 54.000 -0.033 0.000 0.907 208 D CB -0.385 40.394 40.800 -0.035 0.000 0.899 208 D HN 0.564 nan 8.370 nan 0.000 0.527 209 G N -0.215 108.553 108.800 -0.054 0.000 3.277 209 G HA2 0.284 4.177 3.960 -0.112 0.000 0.243 209 G HA3 0.284 4.177 3.960 -0.112 0.000 0.243 209 G C 0.294 174.813 174.900 -0.636 0.000 1.107 209 G CA -0.441 44.361 45.100 -0.497 0.000 0.771 209 G HN 0.199 nan 8.290 nan 0.000 0.544 210 L N 1.925 123.007 121.223 -0.235 0.000 2.326 210 L HA 0.388 4.661 4.340 -0.112 0.000 0.278 210 L C -0.260 176.406 176.870 -0.341 0.000 1.092 210 L CA -0.762 54.002 54.840 -0.128 0.000 0.810 210 L CB 1.000 43.099 42.059 0.066 0.000 1.153 210 L HN 0.190 nan 8.230 nan 0.000 0.439 211 H N 5.577 124.667 119.070 0.033 0.000 2.685 211 H HA 0.434 4.923 4.556 -0.111 0.000 0.307 211 H C -0.661 174.704 175.328 0.062 0.000 1.017 211 H CA -0.418 55.655 56.048 0.043 0.000 1.237 211 H CB 1.200 30.991 29.762 0.048 0.000 1.409 211 H HN 0.409 nan 8.280 nan 0.000 0.488 212 I N 2.128 122.785 120.570 0.144 0.000 2.406 212 I HA 0.329 4.432 4.170 -0.112 0.000 0.290 212 I C 0.783 176.973 176.117 0.122 0.000 0.999 212 I CA -0.722 60.651 61.300 0.122 0.000 1.124 212 I CB 2.089 40.147 38.000 0.095 0.000 1.289 212 I HN 0.524 nan 8.210 nan 0.000 0.441 213 G N 4.302 113.176 108.800 0.123 0.000 2.389 213 G HA2 0.821 4.714 3.960 -0.112 0.000 0.328 213 G HA3 0.821 4.714 3.960 -0.112 0.000 0.328 213 G C -1.092 173.867 174.900 0.099 0.000 1.133 213 G CA -0.460 44.705 45.100 0.109 0.000 0.891 213 G HN 0.812 nan 8.290 nan 0.000 0.485 214 A N 1.873 124.743 122.820 0.084 0.000 2.566 214 A HA 0.727 4.980 4.320 -0.112 0.000 0.297 214 A C -1.126 176.497 177.584 0.066 0.000 1.059 214 A CA -0.858 51.222 52.037 0.071 0.000 0.691 214 A CB 1.633 20.671 19.000 0.063 0.000 1.282 214 A HN 0.544 nan 8.150 nan 0.000 0.401 215 N N 0.664 119.402 118.700 0.064 0.000 2.504 215 N HA 0.473 5.146 4.740 -0.112 0.000 0.280 215 N C 0.528 176.075 175.510 0.062 0.000 1.052 215 N CA 0.649 53.738 53.050 0.065 0.000 0.887 215 N CB 1.811 40.343 38.487 0.076 0.000 1.323 215 N HN 1.846 nan 8.380 nan 0.000 0.509 216 G N 1.686 110.518 108.800 0.053 0.000 2.203 216 G HA2 -0.257 3.636 3.960 -0.112 0.000 0.263 216 G HA3 -0.257 3.636 3.960 -0.112 0.000 0.263 216 G C -0.292 174.639 174.900 0.052 0.000 1.012 216 G CA 0.458 45.588 45.100 0.050 0.000 0.749 216 G HN 0.466 nan 8.290 nan 0.000 0.512 217 L N -0.083 121.170 121.223 0.049 0.000 2.434 217 L HA 0.605 4.878 4.340 -0.112 0.000 0.260 217 L C 0.776 177.674 176.870 0.045 0.000 0.983 217 L CA -0.643 54.225 54.840 0.047 0.000 0.820 217 L CB 2.298 44.379 42.059 0.037 0.000 1.361 217 L HN 0.282 nan 8.230 nan 0.000 0.410 218 T N -1.681 112.900 114.554 0.044 0.000 2.913 218 T HA 0.235 4.518 4.350 -0.112 0.000 0.297 218 T C -2.020 172.711 174.700 0.051 0.000 1.029 218 T CA -1.467 60.660 62.100 0.044 0.000 1.104 218 T CB 1.144 70.036 68.868 0.040 0.000 0.964 218 T HN 0.320 nan 8.240 nan 0.000 0.532 219 P HA -0.217 nan 4.420 nan 0.000 0.217 219 P C 1.782 179.122 177.300 0.067 0.000 1.158 219 P CA 1.214 64.353 63.100 0.064 0.000 0.887 219 P CB 0.033 31.767 31.700 0.057 0.000 0.792 220 Q N -0.042 119.792 119.800 0.057 0.000 2.096 220 Q HA -0.257 4.016 4.340 -0.112 0.000 0.208 220 Q C 2.230 178.270 176.000 0.066 0.000 0.993 220 Q CA 1.978 57.816 55.803 0.058 0.000 0.862 220 Q CB -0.925 27.840 28.738 0.046 0.000 0.915 220 Q HN 0.332 nan 8.270 nan 0.000 0.416 221 Q N -1.290 118.546 119.800 0.059 0.000 2.167 221 Q HA -0.082 4.191 4.340 -0.112 0.000 0.202 221 Q C 2.050 178.079 176.000 0.048 0.000 0.970 221 Q CA 1.257 57.095 55.803 0.060 0.000 0.855 221 Q CB 0.143 28.914 28.738 0.055 0.000 0.911 221 Q HN 0.262 nan 8.270 nan 0.000 0.438 222 V N 1.032 120.977 119.914 0.053 0.000 2.295 222 V HA -0.273 3.780 4.120 -0.112 0.000 0.246 222 V C 2.156 178.371 176.094 0.201 0.000 1.049 222 V CA 1.557 63.894 62.300 0.063 0.000 1.024 222 V CB -0.525 31.368 31.823 0.116 0.000 0.648 222 V HN 0.369 nan 8.190 nan 0.000 0.447 223 L N -0.110 121.232 121.223 0.199 0.000 2.013 223 L HA -0.236 4.037 4.340 -0.112 0.000 0.212 223 L C 2.430 179.417 176.870 0.195 0.000 1.073 223 L CA 1.809 56.780 54.840 0.218 0.000 0.753 223 L CB -1.019 41.114 42.059 0.122 0.000 0.890 223 L HN 0.352 nan 8.230 nan 0.000 0.432 224 D N 0.381 120.858 120.400 0.128 0.000 2.133 224 D HA -0.167 4.406 4.640 -0.112 0.000 0.195 224 D C 2.136 178.520 176.300 0.141 0.000 0.997 224 D CA 1.619 55.687 54.000 0.113 0.000 0.840 224 D CB -0.479 40.378 40.800 0.094 0.000 0.947 224 D HN 0.409 nan 8.370 nan 0.000 0.452 225 G N -0.029 108.829 108.800 0.096 0.000 2.469 225 G HA2 -0.267 3.626 3.960 -0.112 0.000 0.219 225 G HA3 -0.267 3.626 3.960 -0.112 0.000 0.219 225 G C 1.441 176.356 174.900 0.025 0.000 1.150 225 G CA 0.441 45.565 45.100 0.041 0.000 0.763 225 G HN 0.218 nan 8.290 nan 0.000 0.561 226 F N 1.081 121.066 119.950 0.060 0.000 2.234 226 F HA 0.496 4.956 4.527 -0.112 0.000 0.296 226 F C 1.370 177.153 175.800 -0.027 0.000 1.089 226 F CA 0.910 58.922 58.000 0.020 0.000 1.343 226 F CB 0.215 39.215 39.000 -0.001 0.000 1.040 226 F HN 0.311 nan 8.300 nan 0.000 0.498 227 A N -0.730 122.191 122.820 0.168 0.000 2.582 227 A HA 0.345 4.598 4.320 -0.112 0.000 0.297 227 A C -1.592 176.019 177.584 0.045 0.000 1.059 227 A CA -0.872 51.201 52.037 0.060 0.000 0.705 227 A CB 0.393 19.418 19.000 0.042 0.000 1.279 227 A HN -0.079 nan 8.150 nan 0.000 0.404 228 D N 1.356 121.757 120.400 0.003 0.000 2.412 228 D HA 0.130 4.703 4.640 -0.112 0.000 0.257 228 D C 0.714 177.018 176.300 0.006 0.000 1.217 228 D CA 0.383 54.384 54.000 0.002 0.000 0.897 228 D CB 0.894 41.680 40.800 -0.023 0.000 1.132 228 D HN 0.346 nan 8.370 nan 0.000 0.493 229 Q N 2.818 122.631 119.800 0.021 0.000 2.403 229 Q HA -0.023 4.250 4.340 -0.112 0.000 0.203 229 Q C 1.443 177.450 176.000 0.012 0.000 0.932 229 Q CA 0.331 56.148 55.803 0.022 0.000 0.945 229 Q CB 0.162 28.922 28.738 0.037 0.000 1.045 229 Q HN 0.688 nan 8.270 nan 0.000 0.511 230 Q N 0.366 120.167 119.800 0.003 0.000 2.050 230 Q HA -0.123 4.150 4.340 -0.112 0.000 0.202 230 Q C -0.697 175.298 176.000 -0.008 0.000 0.980 230 Q CA 1.332 57.135 55.803 -0.001 0.000 0.840 230 Q CB -0.736 27.998 28.738 -0.006 0.000 0.898 230 Q HN 0.310 nan 8.270 nan 0.000 0.424 231 P HA -0.042 nan 4.420 nan 0.000 0.236 231 P C -0.972 176.311 177.300 -0.028 0.000 1.172 231 P CA 0.514 63.595 63.100 -0.030 0.000 0.759 231 P CB -0.058 31.614 31.700 -0.047 0.000 0.843 232 A N 0.394 123.209 122.820 -0.008 0.000 2.362 232 A HA 0.419 4.672 4.320 -0.112 0.000 0.276 232 A C 0.788 178.390 177.584 0.029 0.000 1.153 232 A CA -0.272 51.771 52.037 0.010 0.000 0.813 232 A CB -0.065 18.958 19.000 0.039 0.000 1.081 232 A HN 0.226 nan 8.150 nan 0.000 0.507 233 S N 3.136 118.850 115.700 0.024 0.000 2.600 233 S HA 0.479 4.882 4.470 -0.112 0.000 0.265 233 S C -2.591 172.103 174.600 0.158 0.000 1.325 233 S CA -1.152 57.085 58.200 0.062 0.000 1.002 233 S CB -0.080 63.132 63.200 0.020 0.000 0.921 233 S HN 0.509 nan 8.310 nan 0.000 0.554 234 P HA 0.196 nan 4.420 nan 0.000 0.266 234 P C 1.074 178.424 177.300 0.083 0.000 1.186 234 P CA 1.411 64.563 63.100 0.087 0.000 0.767 234 P CB -0.113 31.620 31.700 0.054 0.000 0.820 235 G N 0.083 108.871 108.800 -0.020 0.000 2.166 235 G HA2 -0.246 3.647 3.960 -0.112 0.000 0.260 235 G HA3 -0.246 3.647 3.960 -0.112 0.000 0.260 235 G C -0.068 174.635 174.900 -0.328 0.000 0.986 235 G CA 0.299 45.299 45.100 -0.166 0.000 0.683 235 G HN 0.721 nan 8.290 nan 0.000 0.527 236 H N -0.674 118.399 119.070 0.005 0.000 2.894 236 H HA 0.796 5.285 4.556 -0.112 0.000 0.368 236 H C 0.194 175.516 175.328 -0.010 0.000 1.181 236 H CA 0.052 56.095 56.048 -0.009 0.000 1.146 236 H CB 2.104 31.852 29.762 -0.023 0.000 1.839 236 H HN 0.733 nan 8.280 nan 0.000 0.557 237 A N 1.170 124.063 122.820 0.122 0.000 2.566 237 A HA 0.639 4.892 4.320 -0.112 0.000 0.292 237 A C -1.440 176.156 177.584 0.019 0.000 1.112 237 A CA -0.605 51.467 52.037 0.057 0.000 0.707 237 A CB 1.119 20.147 19.000 0.048 0.000 1.302 237 A HN 0.565 nan 8.150 nan 0.000 0.409 238 I N 1.522 122.099 120.570 0.012 0.000 2.339 238 I HA 0.425 4.528 4.170 -0.112 0.000 0.290 238 I C -0.375 175.740 176.117 -0.004 0.000 0.994 238 I CA -0.316 60.981 61.300 -0.005 0.000 1.191 238 I CB 1.271 39.261 38.000 -0.016 0.000 1.343 238 I HN 0.597 nan 8.210 nan 0.000 0.458 239 I N 4.595 125.160 120.570 -0.008 0.000 2.648 239 I HA 0.763 4.866 4.170 -0.112 0.000 0.304 239 I C -0.225 175.900 176.117 0.012 0.000 1.009 239 I CA -0.536 60.742 61.300 -0.036 0.000 1.114 239 I CB 1.731 39.688 38.000 -0.072 0.000 1.293 239 I HN 0.620 nan 8.210 nan 0.000 0.449 240 C N 4.970 124.249 119.300 -0.034 0.000 2.667 240 C HA 0.974 5.367 4.460 -0.112 0.000 0.323 240 C C -0.192 174.785 174.990 -0.021 0.000 1.214 240 C CA -0.704 58.304 59.018 -0.017 0.000 1.721 240 C CB 1.274 28.990 27.740 -0.041 0.000 2.275 240 C HN 1.171 nan 8.230 nan 0.000 0.491 241 M N 0.724 120.319 119.600 -0.008 0.000 2.949 241 M HA 0.441 4.854 4.480 -0.112 0.000 0.270 241 M C -0.938 175.362 176.300 0.000 0.000 1.221 241 M CA -0.483 54.819 55.300 0.002 0.000 0.818 241 M CB 1.129 33.719 32.600 -0.017 0.000 1.635 241 M HN 0.920 nan 8.290 nan 0.000 0.492 242 H N 1.949 121.021 119.070 0.004 0.000 3.034 242 H HA 0.151 4.641 4.556 -0.111 0.000 0.324 242 H C -2.061 173.188 175.328 -0.132 0.000 1.015 242 H CA -0.083 55.992 56.048 0.045 0.000 1.429 242 H CB 1.079 30.884 29.762 0.071 0.000 1.429 242 H HN 0.393 nan 8.280 nan 0.000 0.585 243 P HA -0.188 nan 4.420 nan 0.000 0.216 243 P C 1.821 178.971 177.300 -0.250 0.000 1.153 243 P CA 0.845 63.853 63.100 -0.153 0.000 0.858 243 P CB 0.283 31.848 31.700 -0.226 0.000 0.789 244 V N -0.056 119.611 119.914 -0.412 0.000 2.282 244 V HA -0.289 3.764 4.120 -0.112 0.000 0.249 244 V C 2.710 178.643 176.094 -0.269 0.000 1.057 244 V CA 2.282 64.240 62.300 -0.570 0.000 1.032 244 V CB -1.325 29.820 31.823 -1.129 0.000 0.645 244 V HN 0.145 nan 8.190 nan 0.000 0.447 245 Q N 0.266 119.967 119.800 -0.166 0.000 2.167 245 Q HA -0.078 4.195 4.340 -0.112 0.000 0.202 245 Q C 2.012 178.011 176.000 -0.002 0.000 0.970 245 Q CA 1.908 57.667 55.803 -0.073 0.000 0.855 245 Q CB -0.462 28.251 28.738 -0.042 0.000 0.911 245 Q HN 0.612 nan 8.270 nan 0.000 0.438 246 A N -0.252 122.549 122.820 -0.032 0.000 1.929 246 A HA -0.157 4.096 4.320 -0.112 0.000 0.216 246 A C 1.993 179.612 177.584 0.058 0.000 1.176 246 A CA 1.233 53.273 52.037 0.006 0.000 0.628 246 A CB -0.457 18.262 19.000 -0.467 0.000 0.816 246 A HN 0.336 nan 8.150 nan 0.000 0.444 247 Q N 0.165 119.953 119.800 -0.020 0.000 2.030 247 Q HA -0.130 4.143 4.340 -0.112 0.000 0.204 247 Q C 2.195 178.259 176.000 0.108 0.000 0.986 247 Q CA 1.423 57.254 55.803 0.047 0.000 0.843 247 Q CB -0.691 28.058 28.738 0.019 0.000 0.904 247 Q HN 0.696 nan 8.270 nan 0.000 0.420 248 L N -0.670 120.613 121.223 0.100 0.000 2.012 248 L HA -0.192 4.081 4.340 -0.112 0.000 0.210 248 L C 2.353 179.355 176.870 0.220 0.000 1.073 248 L CA 1.483 56.409 54.840 0.143 0.000 0.748 248 L CB -0.760 41.369 42.059 0.116 0.000 0.891 248 L HN 0.192 nan 8.230 nan 0.000 0.431 249 F N 0.566 120.543 119.950 0.046 0.000 2.120 249 F HA -0.299 4.160 4.527 -0.112 0.000 0.300 249 F C 2.531 178.417 175.800 0.143 0.000 1.095 249 F CA 1.529 59.567 58.000 0.062 0.000 1.249 249 F CB 0.001 38.976 39.000 -0.041 0.000 0.995 249 F HN -0.004 nan 8.300 nan 0.000 0.480 250 M N -0.267 119.404 119.600 0.120 0.000 2.619 250 M HA -0.128 4.285 4.480 -0.112 0.000 0.251 250 M C 1.749 178.060 176.300 0.018 0.000 1.106 250 M CA 0.848 56.158 55.300 0.018 0.000 1.086 250 M CB -0.181 32.495 32.600 0.126 0.000 1.465 250 M HN 0.289 nan 8.290 nan 0.000 0.506 251 Q N 0.035 119.867 119.800 0.053 0.000 2.172 251 Q HA -0.073 4.200 4.340 -0.112 0.000 0.200 251 Q C 0.666 176.662 176.000 -0.007 0.000 0.964 251 Q CA 0.552 56.378 55.803 0.039 0.000 0.855 251 Q CB -0.036 28.740 28.738 0.065 0.000 0.918 251 Q HN 0.398 nan 8.270 nan 0.000 0.444 252 D N -0.222 120.163 120.400 -0.025 0.000 2.383 252 D HA 0.084 4.657 4.640 -0.112 0.000 0.252 252 D C 0.495 176.709 176.300 -0.145 0.000 1.166 252 D CA 0.074 54.000 54.000 -0.124 0.000 0.879 252 D CB 1.310 41.994 40.800 -0.192 0.000 1.164 252 D HN 0.141 nan 8.370 nan 0.000 0.462 253 A N 5.223 127.956 122.820 -0.145 0.000 2.076 253 A HA -0.204 4.048 4.320 -0.112 0.000 0.220 253 A C 2.107 179.643 177.584 -0.079 0.000 1.160 253 A CA 1.152 53.133 52.037 -0.095 0.000 0.653 253 A CB -0.119 18.828 19.000 -0.088 0.000 0.801 253 A HN 0.680 nan 8.150 nan 0.000 0.455 254 R N -0.994 119.425 120.500 -0.135 0.000 2.092 254 R HA -0.045 4.228 4.340 -0.112 0.000 0.231 254 R C 1.922 178.311 176.300 0.149 0.000 1.119 254 R CA 1.410 57.509 56.100 -0.003 0.000 0.970 254 R CB -0.290 29.955 30.300 -0.090 0.000 0.864 254 R HN 0.418 nan 8.270 nan 0.000 0.440 255 V N 0.709 120.641 119.914 0.030 0.000 2.407 255 V HA -0.170 3.883 4.120 -0.112 0.000 0.245 255 V C 2.244 178.331 176.094 -0.012 0.000 1.041 255 V CA 1.307 63.593 62.300 -0.023 0.000 1.040 255 V CB -0.385 31.196 31.823 -0.403 0.000 0.671 255 V HN 0.263 nan 8.190 nan 0.000 0.455 256 Q N 0.059 119.845 119.800 -0.023 0.000 2.112 256 Q HA -0.316 3.957 4.340 -0.112 0.000 0.206 256 Q C 2.245 178.258 176.000 0.023 0.000 0.987 256 Q CA 2.196 58.001 55.803 0.004 0.000 0.858 256 Q CB -0.354 28.380 28.738 -0.006 0.000 0.905 256 Q HN 0.659 nan 8.270 nan 0.000 0.420 257 Q N 0.530 120.347 119.800 0.029 0.000 2.079 257 Q HA -0.045 4.228 4.340 -0.112 0.000 0.200 257 Q C 2.081 178.114 176.000 0.054 0.000 0.974 257 Q CA 1.113 56.939 55.803 0.039 0.000 0.840 257 Q CB -0.194 28.568 28.738 0.041 0.000 0.898 257 Q HN 0.383 nan 8.270 nan 0.000 0.430 258 L N -0.424 120.845 121.223 0.077 0.000 2.217 258 L HA -0.104 4.169 4.340 -0.112 0.000 0.211 258 L C 2.162 179.065 176.870 0.054 0.000 1.107 258 L CA 0.535 55.421 54.840 0.076 0.000 0.783 258 L CB -0.307 41.811 42.059 0.098 0.000 0.919 258 L HN 0.240 nan 8.230 nan 0.000 0.442 259 L N -0.578 120.677 121.223 0.054 0.000 2.027 259 L HA -0.184 4.089 4.340 -0.112 0.000 0.206 259 L C 2.862 179.758 176.870 0.043 0.000 1.074 259 L CA 1.185 56.060 54.840 0.058 0.000 0.745 259 L CB -0.492 41.612 42.059 0.074 0.000 0.898 259 L HN 0.232 nan 8.230 nan 0.000 0.433 260 R N 0.408 120.930 120.500 0.038 0.000 2.083 260 R HA -0.192 4.081 4.340 -0.112 0.000 0.237 260 R C 1.226 177.543 176.300 0.028 0.000 1.137 260 R CA 2.048 58.165 56.100 0.029 0.000 0.951 260 R CB -0.239 30.076 30.300 0.025 0.000 0.851 260 R HN 0.315 nan 8.270 nan 0.000 0.434 261 D N 0.873 121.293 120.400 0.033 0.000 2.352 261 D HA -0.037 4.536 4.640 -0.112 0.000 0.232 261 D C -0.010 176.310 176.300 0.034 0.000 1.055 261 D CA 0.320 54.340 54.000 0.033 0.000 0.891 261 D CB -0.223 40.600 40.800 0.039 0.000 0.897 261 D HN 0.308 nan 8.370 nan 0.000 0.529 262 N N -0.426 118.292 118.700 0.030 0.000 2.681 262 N HA -0.180 4.493 4.740 -0.112 0.000 0.250 262 N C 1.170 176.697 175.510 0.028 0.000 1.133 262 N CA 0.399 53.462 53.050 0.021 0.000 0.732 262 N CB -1.294 37.201 38.487 0.012 0.000 1.107 262 N HN 0.198 nan 8.380 nan 0.000 0.559 263 V N 0.369 120.311 119.914 0.046 0.000 2.427 263 V HA -0.062 3.991 4.120 -0.112 0.000 0.248 263 V C 1.516 177.628 176.094 0.030 0.000 1.051 263 V CA 2.030 64.374 62.300 0.073 0.000 1.048 263 V CB -0.290 31.594 31.823 0.101 0.000 0.666 263 V HN 0.524 nan 8.190 nan 0.000 0.456 264 I N -2.492 118.064 120.570 -0.024 0.000 3.108 264 I HA 0.635 4.738 4.170 -0.112 0.000 0.312 264 I C -0.453 175.665 176.117 0.001 0.000 1.095 264 I CA -1.110 60.141 61.300 -0.082 0.000 1.000 264 I CB 2.265 40.149 38.000 -0.194 0.000 1.229 264 I HN -0.177 nan 8.210 nan 0.000 0.454 265 R N 1.637 122.159 120.500 0.038 0.000 2.621 265 R HA 0.276 4.549 4.340 -0.112 0.000 0.292 265 R C -1.532 174.879 176.300 0.185 0.000 0.969 265 R CA -0.810 55.329 56.100 0.066 0.000 0.887 265 R CB 1.902 32.183 30.300 -0.032 0.000 1.180 265 R HN 0.696 nan 8.270 nan 0.000 0.450 266 D N 3.723 124.218 120.400 0.157 0.000 2.359 266 D HA 0.127 4.700 4.640 -0.112 0.000 0.250 266 D C -0.077 176.159 176.300 -0.108 0.000 1.264 266 D CA -0.011 54.019 54.000 0.050 0.000 0.911 266 D CB 0.366 41.252 40.800 0.142 0.000 1.056 266 D HN 0.265 nan 8.370 nan 0.000 0.499 267 L N 2.451 123.524 121.223 -0.251 0.000 2.456 267 L HA 0.527 4.800 4.340 -0.112 0.000 0.257 267 L C 1.684 178.276 176.870 -0.462 0.000 1.162 267 L CA -0.967 53.706 54.840 -0.279 0.000 0.808 267 L CB 0.748 42.651 42.059 -0.259 0.000 1.136 267 L HN 0.384 nan 8.230 nan 0.000 0.466 268 G N -0.326 108.228 108.800 -0.410 0.000 2.735 268 G HA2 0.115 4.008 3.960 -0.112 0.000 0.192 268 G HA3 0.115 4.008 3.960 -0.112 0.000 0.192 268 G C -0.195 174.219 174.900 -0.809 0.000 1.547 268 G CA -0.497 44.291 45.100 -0.520 0.000 1.080 268 G HN 0.656 nan 8.290 nan 0.000 0.569 269 Q N 0.642 120.156 119.800 -0.477 0.000 2.815 269 Q HA 0.178 4.451 4.340 -0.112 0.000 0.235 269 Q C 0.557 176.413 176.000 -0.240 0.000 1.354 269 Q CA 0.045 55.660 55.803 -0.314 0.000 0.953 269 Q CB 0.285 28.949 28.738 -0.123 0.000 1.613 269 Q HN 0.476 nan 8.270 nan 0.000 0.572 270 S N -1.284 114.248 115.700 -0.279 0.000 2.603 270 S HA 0.192 4.595 4.470 -0.112 0.000 0.232 270 S C 0.927 175.418 174.600 -0.181 0.000 1.016 270 S CA -0.240 57.838 58.200 -0.204 0.000 0.976 270 S CB 0.751 63.830 63.200 -0.202 0.000 0.921 270 S HN 0.470 nan 8.310 nan 0.000 0.516 271 G N 1.689 110.365 108.800 -0.206 0.000 2.553 271 G HA2 0.447 4.340 3.960 -0.112 0.000 0.278 271 G HA3 0.447 4.340 3.960 -0.112 0.000 0.278 271 G C -0.264 174.526 174.900 -0.183 0.000 1.349 271 G CA -1.131 43.856 45.100 -0.187 0.000 1.037 271 G HN 0.416 nan 8.290 nan 0.000 0.508 272 R N -1.380 119.002 120.500 -0.196 0.000 2.623 272 R HA 0.210 4.483 4.340 -0.112 0.000 0.271 272 R C -0.340 175.840 176.300 -0.200 0.000 1.043 272 R CA -0.404 55.575 56.100 -0.202 0.000 1.083 272 R CB 0.641 30.785 30.300 -0.260 0.000 0.974 272 R HN 0.138 nan 8.270 nan 0.000 0.436 273 V N 2.577 122.406 119.914 -0.141 0.000 2.488 273 V HA 0.440 4.493 4.120 -0.112 0.000 0.277 273 V C 0.414 176.487 176.094 -0.036 0.000 1.046 273 V CA 0.198 62.450 62.300 -0.080 0.000 0.986 273 V CB 0.780 32.579 31.823 -0.040 0.000 0.989 273 V HN 0.965 nan 8.190 nan 0.000 0.475 274 A N 4.314 127.178 122.820 0.073 0.000 2.583 274 A HA 0.897 5.150 4.320 -0.112 0.000 0.289 274 A C -0.609 177.282 177.584 0.512 0.000 1.151 274 A CA -0.652 51.533 52.037 0.247 0.000 0.695 274 A CB 1.923 21.079 19.000 0.260 0.000 1.290 274 A HN 0.636 nan 8.150 nan 0.000 0.419 275 S N 2.122 118.121 115.700 0.498 0.000 2.478 275 S HA 0.685 5.088 4.470 -0.112 0.000 0.312 275 S C -2.898 171.832 174.600 0.217 0.000 1.094 275 S CA -1.167 57.247 58.200 0.357 0.000 1.081 275 S CB 1.547 64.931 63.200 0.306 0.000 1.007 275 S HN 0.573 nan 8.310 nan 0.000 0.475 276 P HA 0.171 nan 4.420 nan 0.000 0.275 276 P C 0.196 177.427 177.300 -0.114 0.000 1.227 276 P CA -0.220 62.597 63.100 -0.472 0.000 0.781 276 P CB 0.464 31.750 31.700 -0.689 0.000 0.906 277 T N -1.004 113.521 114.554 -0.049 0.000 2.814 277 T HA 0.408 4.691 4.350 -0.112 0.000 0.284 277 T C 1.556 176.222 174.700 -0.057 0.000 0.998 277 T CA -0.121 61.969 62.100 -0.016 0.000 0.935 277 T CB 0.133 69.034 68.868 0.055 0.000 1.167 277 T HN 0.317 nan 8.240 nan 0.000 0.545 278 A N 0.478 123.252 122.820 -0.078 0.000 2.125 278 A HA 0.022 4.275 4.320 -0.112 0.000 0.219 278 A C 2.435 179.997 177.584 -0.037 0.000 1.156 278 A CA 1.565 53.559 52.037 -0.070 0.000 0.671 278 A CB -1.370 17.564 19.000 -0.109 0.000 0.794 278 A HN 1.099 nan 8.150 nan 0.000 0.459 279 S N -1.086 114.597 115.700 -0.028 0.000 2.607 279 S HA 0.058 4.461 4.470 -0.112 0.000 0.224 279 S C 1.252 175.856 174.600 0.007 0.000 0.969 279 S CA 0.613 58.809 58.200 -0.006 0.000 0.927 279 S CB -0.452 62.748 63.200 0.000 0.000 0.772 279 S HN 0.615 nan 8.310 nan 0.000 0.533 280 I N 0.492 121.056 120.570 -0.010 0.000 4.205 280 I HA -0.390 3.713 4.170 -0.112 0.000 0.094 280 I C 1.663 177.757 176.117 -0.039 0.000 0.521 280 I CA 2.456 63.762 61.300 0.010 0.000 1.179 280 I CB -1.959 36.113 38.000 0.120 0.000 1.046 280 I HN 0.683 nan 8.210 nan 0.000 0.179 281 R N 0.573 121.093 120.500 0.034 0.000 2.300 281 R HA 0.242 4.515 4.340 -0.112 0.000 0.199 281 R C 0.466 176.865 176.300 0.165 0.000 0.920 281 R CA 0.750 56.942 56.100 0.154 0.000 1.046 281 R CB -0.183 30.212 30.300 0.159 0.000 0.984 281 R HN 0.348 nan 8.270 nan 0.000 0.493 282 T N 1.118 115.703 114.554 0.051 0.000 2.767 282 T HA 0.290 4.573 4.350 -0.112 0.000 0.288 282 T C -1.259 173.531 174.700 0.151 0.000 0.963 282 T CA -0.409 61.797 62.100 0.177 0.000 1.019 282 T CB 0.718 69.644 68.868 0.096 0.000 0.923 282 T HN 0.165 nan 8.240 nan 0.000 0.468 283 W N 2.512 124.004 121.300 0.320 0.000 2.627 283 W HA 0.663 5.256 4.660 -0.110 0.000 0.339 283 W C -0.551 176.249 176.519 0.468 0.000 1.058 283 W CA -1.166 56.372 57.345 0.322 0.000 1.223 283 W CB 0.964 30.536 29.460 0.187 0.000 1.389 283 W HN 0.582 nan 8.180 nan 0.000 0.541 284 F N 3.829 124.046 119.950 0.445 0.000 2.482 284 F HA 0.716 5.176 4.527 -0.112 0.000 0.331 284 F C -0.856 175.016 175.800 0.119 0.000 1.115 284 F CA -1.029 57.093 58.000 0.204 0.000 0.955 284 F CB 0.706 39.860 39.000 0.257 0.000 1.136 284 F HN 0.127 nan 8.300 nan 0.000 0.452 285 I N 6.177 126.265 120.570 -0.803 0.000 2.410 285 I HA 0.175 4.278 4.170 -0.112 0.000 0.286 285 I C -0.769 174.706 176.117 -1.071 0.000 1.009 285 I CA -0.960 59.944 61.300 -0.660 0.000 1.111 285 I CB 1.395 39.167 38.000 -0.380 0.000 1.262 285 I HN 0.564 nan 8.210 nan 0.000 0.443 286 D N 6.167 126.095 120.400 -0.788 0.000 2.488 286 D HA -0.124 4.449 4.640 -0.112 0.000 0.238 286 D C 0.292 176.423 176.300 -0.282 0.000 1.138 286 D CA 0.241 53.974 54.000 -0.445 0.000 0.873 286 D CB 1.032 41.818 40.800 -0.023 0.000 1.183 286 D HN 0.644 nan 8.370 nan 0.000 0.458 287 D N 1.222 121.497 120.400 -0.208 0.000 2.735 287 D HA -0.262 4.311 4.640 -0.112 0.000 0.235 287 D C -1.274 174.946 176.300 -0.134 0.000 1.175 287 D CA 0.915 54.827 54.000 -0.146 0.000 0.683 287 D CB -1.497 39.256 40.800 -0.079 0.000 1.008 287 D HN 0.680 nan 8.370 nan 0.000 0.416 288 H N -0.056 118.806 119.070 -0.347 0.000 2.930 288 H HA 0.202 4.691 4.556 -0.112 0.000 0.371 288 H C 0.174 175.242 175.328 -0.434 0.000 1.169 288 H CA -0.612 55.236 56.048 -0.334 0.000 1.157 288 H CB 1.458 31.030 29.762 -0.317 0.000 1.789 288 H HN -0.095 nan 8.280 nan 0.000 0.547 289 D N 2.660 122.431 120.400 -1.050 0.000 2.350 289 D HA -0.051 4.522 4.640 -0.112 0.000 0.216 289 D C -0.318 175.204 176.300 -1.297 0.000 0.968 289 D CA 1.189 54.499 54.000 -1.150 0.000 0.894 289 D CB 0.302 40.278 40.800 -1.374 0.000 0.909 289 D HN 0.340 nan 8.370 nan 0.000 0.520 290 Y N -1.076 118.820 120.300 -0.672 0.000 2.462 290 Y HA 0.326 4.809 4.550 -0.112 0.000 0.346 290 Y C 0.032 175.840 175.900 -0.153 0.000 0.976 290 Y CA -1.372 56.535 58.100 -0.320 0.000 1.044 290 Y CB 1.221 39.508 38.460 -0.288 0.000 1.230 290 Y HN -0.335 nan 8.280 nan 0.000 0.455 291 F N 2.573 122.603 119.950 0.133 0.000 2.410 291 F HA 0.379 4.840 4.527 -0.111 0.000 0.334 291 F C 0.079 175.971 175.800 0.153 0.000 1.134 291 F CA -0.163 57.939 58.000 0.171 0.000 1.227 291 F CB 0.530 39.621 39.000 0.152 0.000 1.194 291 F HN 0.203 nan 8.300 nan 0.000 0.571 292 I N 2.844 123.672 120.570 0.429 0.000 2.382 292 I HA 0.255 4.358 4.170 -0.112 0.000 0.286 292 I C -0.368 176.022 176.117 0.455 0.000 1.002 292 I CA -0.595 60.903 61.300 0.330 0.000 1.135 292 I CB 1.361 39.505 38.000 0.240 0.000 1.288 292 I HN 0.432 nan 8.210 nan 0.000 0.448 293 K N 4.762 125.388 120.400 0.377 0.000 2.159 293 K HA 0.790 5.043 4.320 -0.112 0.000 0.266 293 K C -0.408 176.386 176.600 0.323 0.000 0.975 293 K CA -0.444 56.036 56.287 0.323 0.000 0.865 293 K CB 1.865 34.490 32.500 0.207 0.000 1.087 293 K HN 0.810 nan 8.250 nan 0.000 0.446 294 G N 0.968 109.940 108.800 0.287 0.000 2.690 294 G HA2 0.288 4.181 3.960 -0.112 0.000 0.291 294 G HA3 0.288 4.181 3.960 -0.112 0.000 0.291 294 G C -1.238 173.742 174.900 0.134 0.000 1.403 294 G CA -0.610 44.608 45.100 0.198 0.000 0.864 294 G HN 0.526 nan 8.290 nan 0.000 0.480 295 S N -0.810 114.919 115.700 0.049 0.000 2.564 295 S HA 0.457 4.860 4.470 -0.112 0.000 0.278 295 S C -0.553 174.053 174.600 0.010 0.000 1.333 295 S CA -0.035 58.167 58.200 0.005 0.000 1.048 295 S CB 1.128 64.289 63.200 -0.065 0.000 0.900 295 S HN 0.552 nan 8.310 nan 0.000 0.505 296 L N 3.560 124.783 121.223 -0.001 0.000 2.491 296 L HA 0.440 4.713 4.340 -0.112 0.000 0.267 296 L C -0.655 176.213 176.870 -0.003 0.000 0.971 296 L CA -0.360 54.462 54.840 -0.029 0.000 0.857 296 L CB 1.185 43.211 42.059 -0.056 0.000 1.226 296 L HN 0.454 nan 8.230 nan 0.000 0.408 297 N N 3.092 121.792 118.700 -0.000 0.000 3.167 297 N HA 0.258 4.931 4.740 -0.112 0.000 0.318 297 N C -0.982 174.567 175.510 0.065 0.000 1.268 297 N CA 0.298 53.369 53.050 0.034 0.000 1.197 297 N CB -0.111 38.406 38.487 0.049 0.000 1.464 297 N HN 0.302 nan 8.380 nan 0.000 0.555 298 V N 0.153 120.109 119.914 0.069 0.000 2.841 298 V HA 0.354 4.407 4.120 -0.112 0.000 0.310 298 V C 0.152 176.279 176.094 0.055 0.000 1.090 298 V CA -1.119 61.237 62.300 0.094 0.000 0.930 298 V CB 2.629 34.570 31.823 0.196 0.000 1.014 298 V HN 0.200 nan 8.190 nan 0.000 0.425 299 R N 3.298 123.817 120.500 0.033 0.000 2.389 299 R HA 0.612 4.885 4.340 -0.112 0.000 0.295 299 R C -1.204 175.084 176.300 -0.019 0.000 1.075 299 R CA 0.020 56.128 56.100 0.014 0.000 1.005 299 R CB 0.436 30.747 30.300 0.017 0.000 0.987 299 R HN 0.691 nan 8.270 nan 0.000 0.452 300 I N 4.203 124.763 120.570 -0.016 0.000 2.529 300 I HA 0.045 4.148 4.170 -0.112 0.000 0.284 300 I C -0.042 176.036 176.117 -0.065 0.000 1.088 300 I CA -0.313 60.958 61.300 -0.048 0.000 1.062 300 I CB 2.144 40.131 38.000 -0.022 0.000 1.218 300 I HN 1.000 nan 8.210 nan 0.000 0.442 301 T N 2.843 117.318 114.554 -0.131 0.000 3.708 301 T HA -0.276 4.007 4.350 -0.112 0.000 0.375 301 T C 0.613 175.329 174.700 0.027 0.000 0.763 301 T CA 1.585 63.524 62.100 -0.269 0.000 1.915 301 T CB -1.126 67.409 68.868 -0.555 0.000 1.783 301 T HN 0.953 nan 8.240 nan 0.000 0.734 302 N N -2.737 116.012 118.700 0.082 0.000 1.900 302 N HA -0.161 4.512 4.740 -0.112 0.000 0.204 302 N C 0.462 176.002 175.510 0.050 0.000 1.591 302 N CA 1.137 54.239 53.050 0.086 0.000 3.865 302 N CB -1.767 36.785 38.487 0.109 0.000 0.830 302 N HN 0.795 nan 8.380 nan 0.000 0.485 303 C N 2.323 121.647 119.300 0.040 0.000 2.604 303 C HA 0.509 4.902 4.460 -0.112 0.000 0.396 303 C C 1.216 176.227 174.990 0.035 0.000 1.282 303 C CA -0.639 58.402 59.018 0.039 0.000 2.292 303 C CB 0.568 28.332 27.740 0.040 0.000 2.633 303 C HN 0.213 nan 8.230 nan 0.000 0.620 304 V N 5.109 125.047 119.914 0.040 0.000 2.530 304 V HA 0.238 4.291 4.120 -0.112 0.000 0.282 304 V C 0.808 176.923 176.094 0.036 0.000 1.048 304 V CA -0.100 62.224 62.300 0.040 0.000 0.997 304 V CB 0.747 32.599 31.823 0.047 0.000 0.987 304 V HN 0.714 nan 8.190 nan 0.000 0.477 305 R N 3.943 124.463 120.500 0.033 0.000 4.141 305 R HA 0.199 4.472 4.340 -0.112 0.000 0.281 305 R C 0.246 176.558 176.300 0.019 0.000 1.608 305 R CA -0.193 55.926 56.100 0.031 0.000 1.426 305 R CB -0.473 29.850 30.300 0.038 0.000 1.432 305 R HN 0.757 nan 8.270 nan 0.000 0.708 306 K N -0.146 120.259 120.400 0.008 0.000 2.109 306 K HA 0.371 4.624 4.320 -0.112 0.000 0.243 306 K C -0.575 176.007 176.600 -0.031 0.000 1.006 306 K CA -0.720 55.557 56.287 -0.017 0.000 0.917 306 K CB 1.206 33.689 32.500 -0.029 0.000 1.081 306 K HN -0.131 nan 8.250 nan 0.000 0.468 307 N N -0.274 118.390 118.700 -0.061 0.000 2.491 307 N HA 0.298 4.971 4.740 -0.112 0.000 0.274 307 N C -1.291 174.118 175.510 -0.168 0.000 1.023 307 N CA -0.434 52.556 53.050 -0.100 0.000 0.902 307 N CB 1.902 40.351 38.487 -0.063 0.000 1.267 307 N HN 0.770 nan 8.380 nan 0.000 0.503 308 A N 1.909 124.549 122.820 -0.299 0.000 2.327 308 A HA 0.078 4.331 4.320 -0.112 0.000 0.255 308 A C 1.335 178.606 177.584 -0.522 0.000 1.099 308 A CA -0.511 51.269 52.037 -0.429 0.000 0.801 308 A CB 0.054 18.621 19.000 -0.722 0.000 1.062 308 A HN 0.980 nan 8.150 nan 0.000 0.496 309 W N 0.803 121.834 121.300 -0.448 0.000 2.333 309 W HA -0.314 4.279 4.660 -0.112 0.000 0.316 309 W C 1.448 177.793 176.519 -0.289 0.000 1.215 309 W CA 2.194 59.364 57.345 -0.291 0.000 1.278 309 W CB -1.361 27.989 29.460 -0.184 0.000 1.154 309 W HN 0.865 nan 8.180 nan 0.000 0.486 310 Y N 0.681 120.115 120.300 -1.443 0.000 2.421 310 Y HA 0.076 4.559 4.550 -0.113 0.000 0.292 310 Y C 2.195 177.754 175.900 -0.568 0.000 1.136 310 Y CA 1.405 58.668 58.100 -1.395 0.000 1.255 310 Y CB -1.392 36.145 38.460 -1.539 0.000 0.991 310 Y HN 0.083 nan 8.280 nan 0.000 0.552 311 E N 0.421 120.140 120.200 -0.801 0.000 2.051 311 E HA -0.104 4.179 4.350 -0.112 0.000 0.189 311 E C 1.918 178.395 176.600 -0.205 0.000 0.979 311 E CA 0.820 56.988 56.400 -0.388 0.000 0.803 311 E CB -0.200 29.255 29.700 -0.407 0.000 0.761 311 E HN 0.275 nan 8.360 nan 0.000 0.451 312 L N 1.714 122.815 121.223 -0.203 0.000 2.051 312 L HA -0.242 4.031 4.340 -0.112 0.000 0.214 312 L C 1.968 178.828 176.870 -0.017 0.000 1.076 312 L CA 1.805 56.608 54.840 -0.062 0.000 0.758 312 L CB -0.582 41.462 42.059 -0.025 0.000 0.890 312 L HN 0.169 nan 8.230 nan 0.000 0.433 313 E N -2.083 118.081 120.200 -0.060 0.000 2.318 313 E HA -0.042 4.241 4.350 -0.112 0.000 0.193 313 E C 2.195 178.788 176.600 -0.011 0.000 0.998 313 E CA 0.629 57.026 56.400 -0.005 0.000 0.859 313 E CB 0.074 29.792 29.700 0.030 0.000 0.812 313 E HN 0.343 nan 8.360 nan 0.000 0.492 314 S N 1.015 116.685 115.700 -0.050 0.000 2.369 314 S HA -0.218 4.185 4.470 -0.112 0.000 0.225 314 S C 2.122 176.738 174.600 0.026 0.000 1.043 314 S CA 1.935 60.126 58.200 -0.015 0.000 1.074 314 S CB -0.496 62.693 63.200 -0.019 0.000 0.962 314 S HN 0.323 nan 8.310 nan 0.000 0.433 315 T N 2.081 116.668 114.554 0.056 0.000 2.620 315 T HA -0.168 4.115 4.350 -0.112 0.000 0.267 315 T C 1.865 176.643 174.700 0.129 0.000 1.044 315 T CA 1.767 63.947 62.100 0.133 0.000 1.161 315 T CB -0.762 68.192 68.868 0.145 0.000 0.862 315 T HN 0.244 nan 8.240 nan 0.000 0.438 316 V N 1.308 121.279 119.914 0.096 0.000 2.332 316 V HA -0.157 3.896 4.120 -0.112 0.000 0.248 316 V C 2.486 178.613 176.094 0.055 0.000 1.055 316 V CA 1.624 63.977 62.300 0.089 0.000 1.038 316 V CB -0.785 31.089 31.823 0.084 0.000 0.651 316 V HN 0.422 nan 8.190 nan 0.000 0.450 317 L N -0.820 120.421 121.223 0.030 0.000 2.056 317 L HA -0.127 4.146 4.340 -0.112 0.000 0.207 317 L C 2.449 179.282 176.870 -0.062 0.000 1.078 317 L CA 1.064 55.902 54.840 -0.003 0.000 0.749 317 L CB -0.560 41.499 42.059 0.001 0.000 0.901 317 L HN 0.217 nan 8.230 nan 0.000 0.433 318 I N 0.207 120.730 120.570 -0.079 0.000 2.142 318 I HA -0.312 3.791 4.170 -0.112 0.000 0.240 318 I C 2.295 178.258 176.117 -0.257 0.000 1.078 318 I CA 1.736 62.913 61.300 -0.204 0.000 1.343 318 I CB -1.158 36.737 38.000 -0.175 0.000 1.046 318 I HN 0.324 nan 8.210 nan 0.000 0.405 319 D N 0.663 120.977 120.400 -0.144 0.000 2.104 319 D HA -0.234 4.339 4.640 -0.112 0.000 0.194 319 D C 2.443 178.764 176.300 0.036 0.000 0.994 319 D CA 1.263 55.265 54.000 0.003 0.000 0.830 319 D CB -0.063 40.892 40.800 0.258 0.000 0.959 319 D HN 0.075 nan 8.370 nan 0.000 0.452 320 R N -0.312 120.194 120.500 0.009 0.000 2.081 320 R HA -0.141 4.132 4.340 -0.112 0.000 0.235 320 R C 2.264 178.525 176.300 -0.065 0.000 1.131 320 R CA 0.998 57.097 56.100 -0.002 0.000 0.960 320 R CB -0.539 29.764 30.300 0.007 0.000 0.856 320 R HN 0.305 nan 8.270 nan 0.000 0.436 321 L N 0.450 121.579 121.223 -0.157 0.000 2.046 321 L HA -0.121 4.151 4.340 -0.112 0.000 0.208 321 L C 1.884 178.528 176.870 -0.376 0.000 1.077 321 L CA 1.725 56.377 54.840 -0.313 0.000 0.747 321 L CB -0.786 40.998 42.059 -0.458 0.000 0.896 321 L HN 0.059 nan 8.230 nan 0.000 0.432 322 F N -0.170 119.607 119.950 -0.289 0.000 2.134 322 F HA -0.195 4.264 4.527 -0.112 0.000 0.299 322 F C 2.741 178.461 175.800 -0.133 0.000 1.097 322 F CA 1.730 59.585 58.000 -0.241 0.000 1.264 322 F CB -0.530 38.312 39.000 -0.263 0.000 1.001 322 F HN 0.082 nan 8.300 nan 0.000 0.479 323 R N 0.535 121.088 120.500 0.088 0.000 2.083 323 R HA -0.209 4.064 4.340 -0.112 0.000 0.237 323 R C 2.218 178.521 176.300 0.005 0.000 1.137 323 R CA 1.811 57.944 56.100 0.056 0.000 0.951 323 R CB -0.734 29.597 30.300 0.053 0.000 0.851 323 R HN 0.358 nan 8.270 nan 0.000 0.434 324 Q N -0.354 119.424 119.800 -0.038 0.000 2.061 324 Q HA -0.151 4.122 4.340 -0.112 0.000 0.204 324 Q C 2.033 178.005 176.000 -0.047 0.000 0.984 324 Q CA 1.884 57.660 55.803 -0.044 0.000 0.846 324 Q CB -0.100 28.602 28.738 -0.061 0.000 0.902 324 Q HN 0.391 nan 8.270 nan 0.000 0.421 325 L N 0.057 121.205 121.223 -0.125 0.000 2.017 325 L HA -0.214 4.059 4.340 -0.112 0.000 0.208 325 L C 2.431 179.286 176.870 -0.025 0.000 1.073 325 L CA 0.936 55.695 54.840 -0.135 0.000 0.745 325 L CB -0.501 41.311 42.059 -0.411 0.000 0.894 325 L HN 0.334 nan 8.230 nan 0.000 0.432 326 L N -0.339 120.886 121.223 0.003 0.000 2.079 326 L HA -0.252 4.021 4.340 -0.112 0.000 0.210 326 L C 2.162 179.038 176.870 0.010 0.000 1.081 326 L CA 1.211 56.070 54.840 0.031 0.000 0.752 326 L CB -0.490 41.604 42.059 0.058 0.000 0.896 326 L HN 0.290 nan 8.230 nan 0.000 0.433 327 D N -0.378 120.018 120.400 -0.007 0.000 2.087 327 D HA -0.173 4.400 4.640 -0.112 0.000 0.203 327 D C 2.203 178.465 176.300 -0.064 0.000 0.976 327 D CA 1.281 55.266 54.000 -0.025 0.000 0.865 327 D CB -0.323 40.462 40.800 -0.026 0.000 1.005 327 D HN 0.316 nan 8.370 nan 0.000 0.449 328 Q N -0.827 118.896 119.800 -0.129 0.000 2.378 328 Q HA -0.011 4.262 4.340 -0.112 0.000 0.205 328 Q C 0.444 176.164 176.000 -0.465 0.000 0.954 328 Q CA 0.770 56.393 55.803 -0.299 0.000 0.901 328 Q CB 0.308 28.794 28.738 -0.420 0.000 0.981 328 Q HN 0.462 nan 8.270 nan 0.000 0.483 329 H N -1.360 117.718 119.070 0.014 0.000 2.549 329 H HA 0.370 4.859 4.556 -0.112 0.000 0.253 329 H C 0.930 176.288 175.328 0.049 0.000 1.170 329 H CA 0.219 56.300 56.048 0.056 0.000 0.943 329 H CB 0.613 30.432 29.762 0.096 0.000 1.849 329 H HN 0.190 nan 8.280 nan 0.000 0.603 330 A N 1.369 124.239 122.820 0.084 0.000 1.917 330 A HA -0.199 4.054 4.320 -0.112 0.000 0.219 330 A C 1.982 179.612 177.584 0.077 0.000 1.182 330 A CA 1.972 54.048 52.037 0.065 0.000 0.633 330 A CB -0.230 18.788 19.000 0.031 0.000 0.819 330 A HN 0.441 nan 8.150 nan 0.000 0.448 331 D N -0.353 120.094 120.400 0.078 0.000 2.332 331 D HA -0.047 4.526 4.640 -0.112 0.000 0.244 331 D C 0.852 177.202 176.300 0.084 0.000 1.136 331 D CA 1.357 55.396 54.000 0.065 0.000 0.884 331 D CB -0.578 40.248 40.800 0.044 0.000 0.906 331 D HN 0.446 nan 8.370 nan 0.000 0.520 332 T N -3.138 111.492 114.554 0.128 0.000 3.209 332 T HA 0.232 4.515 4.350 -0.112 0.000 0.295 332 T C 1.266 176.066 174.700 0.166 0.000 0.977 332 T CA -0.412 61.770 62.100 0.137 0.000 0.922 332 T CB -0.627 68.330 68.868 0.149 0.000 1.152 332 T HN 0.118 nan 8.240 nan 0.000 0.527 333 L N 1.156 122.462 121.223 0.138 0.000 2.741 333 L HA 0.511 4.784 4.340 -0.112 0.000 0.237 333 L C 1.728 178.651 176.870 0.087 0.000 1.178 333 L CA -0.083 54.832 54.840 0.125 0.000 0.973 333 L CB -0.376 41.740 42.059 0.095 0.000 1.255 333 L HN 0.496 nan 8.230 nan 0.000 0.498 334 G N 0.712 109.554 108.800 0.070 0.000 2.258 334 G HA2 -0.248 3.645 3.960 -0.112 0.000 0.274 334 G HA3 -0.248 3.645 3.960 -0.112 0.000 0.274 334 G C 0.943 175.851 174.900 0.014 0.000 1.021 334 G CA 0.447 45.572 45.100 0.041 0.000 0.798 334 G HN 0.782 nan 8.290 nan 0.000 0.507 335 G N -1.872 106.937 108.800 0.016 0.000 2.182 335 G HA2 -0.000 3.893 3.960 -0.112 0.000 0.248 335 G HA3 -0.000 3.893 3.960 -0.112 0.000 0.248 335 G C 0.418 175.311 174.900 -0.013 0.000 1.042 335 G CA 0.483 45.581 45.100 -0.004 0.000 0.775 335 G HN 1.879 nan 8.290 nan 0.000 0.501 336 L N 0.401 121.630 121.223 0.009 0.000 2.540 336 L HA 0.502 4.775 4.340 -0.112 0.000 0.276 336 L C 0.386 177.247 176.870 -0.014 0.000 1.212 336 L CA 0.210 55.053 54.840 0.005 0.000 0.893 336 L CB 1.035 43.128 42.059 0.056 0.000 1.138 336 L HN 0.160 nan 8.230 nan 0.000 0.491 337 V N 5.528 125.411 119.914 -0.051 0.000 2.448 337 V HA 0.862 4.915 4.120 -0.112 0.000 0.295 337 V C 0.033 176.062 176.094 -0.108 0.000 1.025 337 V CA -0.124 62.134 62.300 -0.069 0.000 0.859 337 V CB 1.028 32.795 31.823 -0.094 0.000 0.988 337 V HN 1.014 nan 8.190 nan 0.000 0.431 338 A N 3.601 126.357 122.820 -0.106 0.000 2.475 338 A HA 0.924 5.177 4.320 -0.112 0.000 0.301 338 A C -0.188 177.322 177.584 -0.124 0.000 1.059 338 A CA -0.410 51.527 52.037 -0.167 0.000 0.710 338 A CB 1.710 20.546 19.000 -0.273 0.000 1.288 338 A HN 1.368 nan 8.150 nan 0.000 0.408 339 A N 1.406 124.113 122.820 -0.188 0.000 2.347 339 A HA 0.607 4.860 4.320 -0.112 0.000 0.287 339 A C 0.782 178.241 177.584 -0.209 0.000 1.199 339 A CA 0.327 52.309 52.037 -0.092 0.000 0.851 339 A CB -0.450 18.570 19.000 0.032 0.000 1.118 339 A HN 2.227 nan 8.150 nan 0.000 0.525 340 A N 3.091 125.915 122.820 0.007 0.000 2.483 340 A HA 0.417 4.670 4.320 -0.112 0.000 0.238 340 A C 0.296 177.903 177.584 0.038 0.000 1.070 340 A CA 0.064 52.177 52.037 0.126 0.000 0.770 340 A CB 0.003 19.105 19.000 0.169 0.000 1.008 340 A HN 0.797 nan 8.150 nan 0.000 0.497 341 E N 2.617 122.927 120.200 0.183 0.000 3.037 341 E HA 0.193 4.475 4.350 -0.112 0.000 0.220 341 E C -2.145 174.569 176.600 0.191 0.000 1.142 341 E CA -1.453 55.019 56.400 0.120 0.000 0.888 341 E CB 1.260 30.997 29.700 0.062 0.000 1.329 341 E HN 0.546 nan 8.360 nan 0.000 0.409 342 P HA 0.060 nan 4.420 nan 0.000 0.251 342 P C 0.302 177.629 177.300 0.046 0.000 1.223 342 P CA 0.266 63.425 63.100 0.097 0.000 0.796 342 P CB 0.735 32.488 31.700 0.089 0.000 1.068 343 G N -0.475 108.329 108.800 0.006 0.000 2.662 343 G HA2 0.535 4.428 3.960 -0.112 0.000 0.302 343 G HA3 0.535 4.428 3.960 -0.112 0.000 0.302 343 G C -1.740 173.248 174.900 0.146 0.000 1.389 343 G CA -0.312 44.806 45.100 0.030 0.000 0.998 343 G HN -0.124 nan 8.290 nan 0.000 0.502 344 V N 1.725 121.754 119.914 0.192 0.000 2.623 344 V HA 0.651 4.704 4.120 -0.112 0.000 0.304 344 V C -0.463 175.730 176.094 0.166 0.000 1.054 344 V CA -0.900 61.528 62.300 0.213 0.000 0.882 344 V CB 1.398 33.307 31.823 0.144 0.000 1.002 344 V HN 0.669 nan 8.190 nan 0.000 0.424 345 V N 4.163 124.114 119.914 0.062 0.000 2.815 345 V HA 0.984 5.037 4.120 -0.112 0.000 0.314 345 V C -0.222 175.846 176.094 -0.042 0.000 1.064 345 V CA 0.140 62.405 62.300 -0.058 0.000 0.952 345 V CB 2.492 34.123 31.823 -0.320 0.000 1.020 345 V HN 1.215 nan 8.190 nan 0.000 0.439 346 S N 4.036 119.774 115.700 0.063 0.000 2.547 346 S HA 0.627 5.030 4.470 -0.112 0.000 0.270 346 S C -1.647 173.114 174.600 0.268 0.000 1.150 346 S CA -0.762 57.514 58.200 0.127 0.000 0.850 346 S CB 1.335 64.616 63.200 0.136 0.000 1.118 346 S HN 1.021 nan 8.310 nan 0.000 0.461 347 W N 1.911 123.254 121.300 0.073 0.000 2.864 347 W HA 0.771 5.363 4.660 -0.112 0.000 0.343 347 W C -0.919 175.669 176.519 0.115 0.000 1.109 347 W CA 0.111 57.485 57.345 0.048 0.000 1.192 347 W CB 2.132 31.565 29.460 -0.045 0.000 1.426 347 W HN 1.316 nan 8.180 nan 0.000 0.529 348 S N 3.695 118.667 115.700 -1.214 0.000 2.543 348 S HA 0.588 4.991 4.470 -0.112 0.000 0.274 348 S C -3.166 170.366 174.600 -1.781 0.000 1.149 348 S CA -1.469 56.014 58.200 -1.194 0.000 0.866 348 S CB 1.960 65.016 63.200 -0.240 0.000 1.111 348 S HN 0.197 nan 8.310 nan 0.000 0.457 349 P HA 0.338 nan 4.420 nan 0.000 0.271 349 P C 0.895 177.927 177.300 -0.448 0.000 1.216 349 P CA -0.154 62.470 63.100 -0.794 0.000 0.776 349 P CB 0.466 31.951 31.700 -0.358 0.000 0.881 350 A N 3.559 126.212 122.820 -0.278 0.000 1.986 350 A HA -0.144 4.109 4.320 -0.112 0.000 0.220 350 A C 1.738 179.243 177.584 -0.132 0.000 1.171 350 A CA 2.217 54.142 52.037 -0.186 0.000 0.640 350 A CB -1.320 17.618 19.000 -0.102 0.000 0.811 350 A HN 0.561 nan 8.150 nan 0.000 0.451 351 A N -1.477 121.280 122.820 -0.105 0.000 2.574 351 A HA 0.658 4.911 4.320 -0.112 0.000 0.283 351 A C 1.758 179.301 177.584 -0.068 0.000 1.270 351 A CA 0.939 52.933 52.037 -0.071 0.000 0.945 351 A CB -0.561 18.414 19.000 -0.043 0.000 1.127 351 A HN 0.891 nan 8.150 nan 0.000 0.522 352 A N 0.197 122.960 122.820 -0.096 0.000 1.917 352 A HA 0.324 4.577 4.320 -0.112 0.000 0.219 352 A C 1.688 179.249 177.584 -0.038 0.000 1.182 352 A CA 1.595 53.597 52.037 -0.058 0.000 0.633 352 A CB -0.973 17.988 19.000 -0.065 0.000 0.819 352 A HN 2.227 nan 8.150 nan 0.000 0.448 353 G N -1.589 107.169 108.800 -0.069 0.000 3.019 353 G HA2 -0.133 3.760 3.960 -0.112 0.000 0.686 353 G HA3 -0.133 3.760 3.960 -0.112 0.000 0.686 353 G C 0.128 174.952 174.900 -0.126 0.000 1.056 353 G CA 0.275 45.328 45.100 -0.080 0.000 0.774 353 G HN 0.402 nan 8.290 nan 0.000 0.583 354 E N 0.580 120.669 120.200 -0.185 0.000 2.130 354 E HA -0.183 4.100 4.350 -0.112 0.000 0.196 354 E C 2.573 178.870 176.600 -0.506 0.000 0.998 354 E CA 1.592 57.765 56.400 -0.378 0.000 0.806 354 E CB 0.070 29.573 29.700 -0.329 0.000 0.738 354 E HN 0.558 nan 8.360 nan 0.000 0.459 355 L N 0.493 121.584 121.223 -0.220 0.000 2.240 355 L HA -0.118 4.155 4.340 -0.112 0.000 0.211 355 L C 1.659 178.540 176.870 0.017 0.000 1.106 355 L CA 0.934 55.723 54.840 -0.085 0.000 0.793 355 L CB 0.133 42.184 42.059 -0.013 0.000 0.927 355 L HN 0.002 nan 8.230 nan 0.000 0.446 356 D N -1.517 118.895 120.400 0.020 0.000 2.162 356 D HA -0.141 4.432 4.640 -0.112 0.000 0.203 356 D C 2.292 178.774 176.300 0.303 0.000 0.967 356 D CA 1.143 55.243 54.000 0.167 0.000 0.840 356 D CB 0.144 41.044 40.800 0.168 0.000 0.972 356 D HN 0.158 nan 8.370 nan 0.000 0.482 357 S N -0.467 115.286 115.700 0.087 0.000 2.370 357 S HA -0.193 4.210 4.470 -0.112 0.000 0.226 357 S C 1.736 176.397 174.600 0.102 0.000 1.033 357 S CA 1.302 59.524 58.200 0.036 0.000 1.011 357 S CB -0.283 62.813 63.200 -0.172 0.000 0.852 357 S HN 0.422 nan 8.310 nan 0.000 0.457 358 H N -2.311 116.781 119.070 0.037 0.000 2.389 358 H HA -0.091 4.398 4.556 -0.112 0.000 0.299 358 H C 1.873 177.304 175.328 0.171 0.000 1.081 358 H CA 1.403 57.484 56.048 0.055 0.000 1.345 358 H CB -0.175 29.628 29.762 0.068 0.000 1.393 358 H HN 0.606 nan 8.280 nan 0.000 0.520 359 W N 1.044 122.432 121.300 0.147 0.000 2.379 359 W HA -0.179 4.413 4.660 -0.113 0.000 0.307 359 W C 1.530 178.084 176.519 0.058 0.000 1.200 359 W CA 1.129 58.506 57.345 0.053 0.000 1.297 359 W CB -0.577 28.843 29.460 -0.066 0.000 1.140 359 W HN -0.029 nan 8.180 nan 0.000 0.507 360 F N 1.004 121.132 119.950 0.297 0.000 2.095 360 F HA -0.206 4.254 4.527 -0.111 0.000 0.298 360 F C 2.570 178.359 175.800 -0.018 0.000 1.104 360 F CA 2.425 60.516 58.000 0.151 0.000 1.232 360 F CB -1.024 38.134 39.000 0.263 0.000 0.987 360 F HN -0.202 nan 8.300 nan 0.000 0.475 361 R N -0.259 120.364 120.500 0.204 0.000 2.096 361 R HA -0.197 4.076 4.340 -0.112 0.000 0.235 361 R C 2.132 178.432 176.300 -0.001 0.000 1.127 361 R CA 1.562 57.724 56.100 0.103 0.000 0.968 361 R CB -0.538 29.803 30.300 0.069 0.000 0.861 361 R HN 0.374 nan 8.270 nan 0.000 0.440 362 E N 0.474 120.643 120.200 -0.051 0.000 2.110 362 E HA -0.195 4.088 4.350 -0.112 0.000 0.193 362 E C 1.869 178.322 176.600 -0.244 0.000 0.988 362 E CA 0.928 57.248 56.400 -0.133 0.000 0.804 362 E CB 0.247 29.873 29.700 -0.124 0.000 0.745 362 E HN 0.244 nan 8.360 nan 0.000 0.458 363 Q N -0.623 118.935 119.800 -0.404 0.000 2.230 363 Q HA -0.076 4.197 4.340 -0.112 0.000 0.202 363 Q C 1.962 177.681 176.000 -0.469 0.000 0.963 363 Q CA 1.790 57.286 55.803 -0.511 0.000 0.866 363 Q CB 0.345 28.648 28.738 -0.725 0.000 0.931 363 Q HN 0.430 nan 8.270 nan 0.000 0.452 364 T N -3.994 110.368 114.554 -0.320 0.000 3.040 364 T HA 0.274 4.557 4.350 -0.112 0.000 0.266 364 T C 0.929 175.533 174.700 -0.159 0.000 1.005 364 T CA 0.149 62.079 62.100 -0.283 0.000 0.906 364 T CB 0.223 68.978 68.868 -0.188 0.000 1.082 364 T HN 0.128 nan 8.240 nan 0.000 0.531 365 G N 0.496 109.230 108.800 -0.110 0.000 2.224 365 G HA2 0.440 4.333 3.960 -0.112 0.000 0.239 365 G HA3 0.440 4.333 3.960 -0.112 0.000 0.239 365 G C 0.188 175.040 174.900 -0.080 0.000 1.240 365 G CA 0.024 45.081 45.100 -0.071 0.000 0.896 365 G HN 0.691 nan 8.290 nan 0.000 0.496 366 G N 0.563 109.296 108.800 -0.112 0.000 2.620 366 G HA2 0.612 4.504 3.960 -0.112 0.000 0.301 366 G HA3 0.612 4.504 3.960 -0.112 0.000 0.301 366 G C -0.826 174.235 174.900 0.268 0.000 1.347 366 G CA -0.844 44.246 45.100 -0.018 0.000 0.971 366 G HN 0.692 nan 8.290 nan 0.000 0.488 367 I N 1.313 122.154 120.570 0.452 0.000 2.465 367 I HA 0.337 4.440 4.170 -0.112 0.000 0.291 367 I C -0.512 175.754 176.117 0.249 0.000 1.014 367 I CA -0.744 60.773 61.300 0.361 0.000 1.093 367 I CB 2.326 40.438 38.000 0.186 0.000 1.267 367 I HN 0.097 nan 8.210 nan 0.000 0.431 368 L N 6.271 127.502 121.223 0.013 0.000 2.261 368 L HA 0.455 4.728 4.340 -0.112 0.000 0.289 368 L C 0.182 177.012 176.870 -0.067 0.000 1.059 368 L CA -0.288 54.378 54.840 -0.289 0.000 0.816 368 L CB 0.888 42.519 42.059 -0.715 0.000 1.191 368 L HN 0.578 nan 8.230 nan 0.000 0.431 369 R N 3.479 124.031 120.500 0.087 0.000 2.474 369 R HA 0.215 4.487 4.340 -0.112 0.000 0.295 369 R C -0.016 176.472 176.300 0.315 0.000 0.980 369 R CA -0.651 55.538 56.100 0.150 0.000 0.934 369 R CB 1.294 31.659 30.300 0.109 0.000 1.101 369 R HN 0.590 nan 8.270 nan 0.000 0.469 370 E N 2.979 123.325 120.200 0.244 0.000 2.529 370 E HA -0.189 4.094 4.350 -0.112 0.000 0.259 370 E C -0.684 176.016 176.600 0.166 0.000 0.966 370 E CA 0.081 56.602 56.400 0.203 0.000 0.937 370 E CB 0.489 30.277 29.700 0.147 0.000 0.923 370 E HN 0.444 nan 8.360 nan 0.000 0.468 371 N N 5.381 124.020 118.700 -0.101 0.000 2.605 371 N HA -0.029 4.644 4.740 -0.112 0.000 0.258 371 N C 0.428 175.767 175.510 -0.286 0.000 1.156 371 N CA -0.342 52.489 53.050 -0.366 0.000 1.008 371 N CB -0.386 37.783 38.487 -0.530 0.000 1.354 371 N HN 0.551 nan 8.380 nan 0.000 0.509 372 F N 0.439 120.402 119.950 0.022 0.000 2.307 372 F HA -0.121 4.339 4.527 -0.112 0.000 0.301 372 F C 2.036 177.778 175.800 -0.096 0.000 1.076 372 F CA -0.016 57.955 58.000 -0.048 0.000 1.383 372 F CB -0.965 38.004 39.000 -0.051 0.000 1.055 372 F HN 0.271 nan 8.300 nan 0.000 0.526 373 C N 2.083 121.241 119.300 -0.237 0.000 2.413 373 C HA -0.189 4.204 4.460 -0.112 0.000 0.277 373 C C 3.075 178.034 174.990 -0.052 0.000 1.265 373 C CA 1.431 60.381 59.018 -0.113 0.000 1.752 373 C CB -1.400 26.229 27.740 -0.186 0.000 1.998 373 C HN 0.659 nan 8.230 nan 0.000 0.489 374 R N 1.569 122.013 120.500 -0.093 0.000 2.115 374 R HA -0.135 4.138 4.340 -0.112 0.000 0.230 374 R C 2.161 178.438 176.300 -0.039 0.000 1.111 374 R CA 1.791 57.846 56.100 -0.075 0.000 0.976 374 R CB -0.546 29.679 30.300 -0.125 0.000 0.870 374 R HN 0.557 nan 8.270 nan 0.000 0.445 375 R N 1.154 121.645 120.500 -0.016 0.000 2.240 375 R HA -0.007 4.266 4.340 -0.112 0.000 0.203 375 R C 1.026 177.339 176.300 0.020 0.000 1.011 375 R CA 1.573 57.677 56.100 0.006 0.000 1.007 375 R CB 0.237 30.550 30.300 0.022 0.000 0.911 375 R HN 0.467 nan 8.270 nan 0.000 0.468 376 T N -4.166 110.413 114.554 0.042 0.000 2.958 376 T HA 0.300 4.583 4.350 -0.112 0.000 0.256 376 T C 0.538 175.248 174.700 0.017 0.000 0.983 376 T CA 0.230 62.352 62.100 0.037 0.000 0.924 376 T CB 0.892 69.804 68.868 0.073 0.000 1.136 376 T HN 0.315 nan 8.240 nan 0.000 0.506 377 G N 0.951 109.760 108.800 0.015 0.000 3.402 377 G HA2 0.256 4.149 3.960 -0.112 0.000 0.686 377 G HA3 0.256 4.149 3.960 -0.112 0.000 0.686 377 G C 0.732 175.629 174.900 -0.004 0.000 0.983 377 G CA -0.430 44.674 45.100 0.008 0.000 0.821 377 G HN 0.867 nan 8.290 nan 0.000 0.500 378 A N 2.272 125.081 122.820 -0.019 0.000 1.883 378 A HA -0.035 4.218 4.320 -0.112 0.000 0.217 378 A C 2.221 179.663 177.584 -0.237 0.000 1.186 378 A CA 2.187 54.114 52.037 -0.184 0.000 0.624 378 A CB -0.328 18.581 19.000 -0.151 0.000 0.822 378 A HN 0.910 nan 8.150 nan 0.000 0.444 379 E N -0.053 120.140 120.200 -0.013 0.000 2.284 379 E HA -0.228 4.055 4.350 -0.112 0.000 0.200 379 E C 1.571 178.220 176.600 0.082 0.000 1.008 379 E CA 1.343 57.803 56.400 0.101 0.000 0.829 379 E CB -0.286 29.493 29.700 0.131 0.000 0.744 379 E HN 0.694 nan 8.360 nan 0.000 0.491 380 R N 0.007 120.515 120.500 0.014 0.000 2.437 380 R HA 0.198 4.471 4.340 -0.112 0.000 0.257 380 R C 0.044 176.391 176.300 0.079 0.000 0.927 380 R CA -0.024 56.028 56.100 -0.081 0.000 1.078 380 R CB 0.880 31.093 30.300 -0.145 0.000 1.161 380 R HN -0.133 nan 8.270 nan 0.000 0.529 381 S N 1.034 116.818 115.700 0.141 0.000 2.552 381 S HA 0.514 4.917 4.470 -0.112 0.000 0.314 381 S C -0.614 174.147 174.600 0.268 0.000 1.099 381 S CA -0.557 57.759 58.200 0.194 0.000 1.070 381 S CB 1.794 65.094 63.200 0.168 0.000 0.998 381 S HN 0.058 nan 8.310 nan 0.000 0.474 382 I N 2.974 123.667 120.570 0.205 0.000 2.533 382 I HA 0.349 4.452 4.170 -0.112 0.000 0.290 382 I C -0.163 175.985 176.117 0.053 0.000 1.056 382 I CA -0.495 60.856 61.300 0.085 0.000 1.057 382 I CB 1.862 39.826 38.000 -0.060 0.000 1.240 382 I HN 0.467 nan 8.210 nan 0.000 0.423 383 M N 5.083 124.689 119.600 0.010 0.000 2.239 383 M HA 0.200 4.613 4.480 -0.112 0.000 0.348 383 M C 1.128 177.387 176.300 -0.070 0.000 1.239 383 M CA 0.312 55.612 55.300 -0.000 0.000 1.114 383 M CB 1.424 33.989 32.600 -0.058 0.000 1.641 383 M HN 0.929 nan 8.290 nan 0.000 0.453 384 A N 5.248 128.068 122.820 -0.001 0.000 1.869 384 A HA -0.147 4.106 4.320 -0.112 0.000 0.218 384 A C 1.861 179.421 177.584 -0.038 0.000 1.203 384 A CA 2.372 54.435 52.037 0.044 0.000 0.638 384 A CB -1.687 17.386 19.000 0.122 0.000 0.831 384 A HN 1.063 nan 8.150 nan 0.000 0.450 385 G N -1.400 107.361 108.800 -0.065 0.000 2.505 385 G HA2 -0.242 3.650 3.960 -0.112 0.000 0.220 385 G HA3 -0.242 3.650 3.960 -0.112 0.000 0.220 385 G C 1.557 176.386 174.900 -0.117 0.000 1.145 385 G CA 1.877 46.930 45.100 -0.080 0.000 0.761 385 G HN 0.498 nan 8.290 nan 0.000 0.571 386 T N 0.804 115.239 114.554 -0.199 0.000 2.896 386 T HA -0.011 4.272 4.350 -0.112 0.000 0.263 386 T C 2.235 176.731 174.700 -0.339 0.000 1.050 386 T CA 0.832 62.770 62.100 -0.269 0.000 1.140 386 T CB -0.194 68.476 68.868 -0.329 0.000 0.877 386 T HN 0.118 nan 8.240 nan 0.000 0.457 387 L N 0.861 121.805 121.223 -0.465 0.000 2.089 387 L HA -0.063 4.210 4.340 -0.112 0.000 0.213 387 L C 0.962 177.312 176.870 -0.868 0.000 1.079 387 L CA 1.825 56.193 54.840 -0.786 0.000 0.758 387 L CB -0.599 40.843 42.059 -1.027 0.000 0.891 387 L HN 0.234 nan 8.230 nan 0.000 0.433 388 F N -0.485 119.364 119.950 -0.169 0.000 2.684 388 F HA 0.497 4.956 4.527 -0.112 0.000 0.298 388 F C 0.948 176.707 175.800 -0.069 0.000 1.120 388 F CA -0.109 57.818 58.000 -0.121 0.000 1.332 388 F CB -1.029 37.910 39.000 -0.101 0.000 0.986 388 F HN 0.032 nan 8.300 nan 0.000 0.524 389 A N 0.474 123.294 122.820 0.001 0.000 2.248 389 A HA 0.804 5.057 4.320 -0.112 0.000 0.316 389 A C 0.279 177.925 177.584 0.103 0.000 1.101 389 A CA -0.693 51.378 52.037 0.057 0.000 0.875 389 A CB 0.743 19.732 19.000 -0.019 0.000 1.207 389 A HN 0.313 nan 8.150 nan 0.000 0.504 390 R N -0.613 120.028 120.500 0.235 0.000 2.486 390 R HA 0.511 4.784 4.340 -0.112 0.000 0.286 390 R C 0.646 177.195 176.300 0.416 0.000 0.999 390 R CA 0.094 56.367 56.100 0.287 0.000 0.993 390 R CB 1.526 31.995 30.300 0.282 0.000 1.084 390 R HN 0.856 nan 8.270 nan 0.000 0.487 391 G N -0.244 108.754 108.800 0.329 0.000 2.525 391 G HA2 0.211 4.104 3.960 -0.112 0.000 0.287 391 G HA3 0.211 4.104 3.960 -0.112 0.000 0.287 391 G C 0.951 176.110 174.900 0.432 0.000 1.350 391 G CA -0.403 44.925 45.100 0.379 0.000 1.039 391 G HN 0.494 nan 8.290 nan 0.000 0.513 392 V N -1.577 118.496 119.914 0.264 0.000 3.186 392 V HA -0.025 4.028 4.120 -0.112 0.000 0.270 392 V C 1.260 177.409 176.094 0.092 0.000 1.149 392 V CA 2.108 64.449 62.300 0.068 0.000 1.160 392 V CB -0.724 30.987 31.823 -0.187 0.000 0.758 392 V HN 0.618 nan 8.190 nan 0.000 0.516 393 D N -0.434 120.034 120.400 0.112 0.000 2.402 393 D HA 0.115 4.688 4.640 -0.112 0.000 0.216 393 D C 0.997 177.340 176.300 0.073 0.000 1.128 393 D CA -0.432 53.608 54.000 0.066 0.000 0.833 393 D CB -0.406 40.420 40.800 0.043 0.000 0.971 393 D HN 0.436 nan 8.370 nan 0.000 0.503 394 L N -0.886 120.412 121.223 0.125 0.000 3.976 394 L HA -0.248 4.025 4.340 -0.112 0.000 0.418 394 L C -0.464 176.461 176.870 0.091 0.000 1.177 394 L CA 0.725 55.617 54.840 0.087 0.000 0.968 394 L CB -1.433 40.606 42.059 -0.033 0.000 1.933 394 L HN 0.187 nan 8.230 nan 0.000 0.976 395 Q N -0.175 119.682 119.800 0.096 0.000 2.245 395 Q HA 0.463 4.736 4.340 -0.112 0.000 0.256 395 Q C -2.089 173.966 176.000 0.092 0.000 0.942 395 Q CA -2.366 53.478 55.803 0.068 0.000 0.896 395 Q CB 0.905 29.666 28.738 0.038 0.000 1.272 395 Q HN -0.121 nan 8.270 nan 0.000 0.442 396 P HA -0.002 nan 4.420 nan 0.000 0.260 396 P C 0.393 177.714 177.300 0.034 0.000 1.172 396 P CA 0.626 63.771 63.100 0.075 0.000 0.760 396 P CB 0.408 32.152 31.700 0.073 0.000 0.773 397 M N 3.250 122.856 119.600 0.009 0.000 2.319 397 M HA -0.091 4.322 4.480 -0.112 0.000 0.265 397 M C 1.973 178.248 176.300 -0.042 0.000 1.068 397 M CA 1.251 56.543 55.300 -0.014 0.000 1.118 397 M CB -0.490 32.079 32.600 -0.050 0.000 1.395 397 M HN 0.331 nan 8.290 nan 0.000 0.435 398 I N 0.933 121.431 120.570 -0.120 0.000 2.185 398 I HA -0.381 3.722 4.170 -0.112 0.000 0.246 398 I C 2.524 178.633 176.117 -0.013 0.000 1.088 398 I CA 1.731 62.937 61.300 -0.157 0.000 1.347 398 I CB -0.116 37.751 38.000 -0.221 0.000 1.041 398 I HN 0.326 nan 8.210 nan 0.000 0.415 399 Q N 0.179 119.965 119.800 -0.023 0.000 2.014 399 Q HA -0.255 4.018 4.340 -0.112 0.000 0.207 399 Q C 2.376 178.382 176.000 0.010 0.000 0.993 399 Q CA 2.887 58.676 55.803 -0.023 0.000 0.850 399 Q CB -1.337 27.386 28.738 -0.024 0.000 0.916 399 Q HN 0.742 nan 8.270 nan 0.000 0.417 400 T N -1.456 113.122 114.554 0.040 0.000 2.812 400 T HA -0.115 4.168 4.350 -0.112 0.000 0.264 400 T C 1.781 176.525 174.700 0.072 0.000 1.042 400 T CA 0.971 63.096 62.100 0.041 0.000 1.140 400 T CB -0.762 68.131 68.868 0.041 0.000 0.870 400 T HN 0.231 nan 8.240 nan 0.000 0.445 401 F N 2.404 122.326 119.950 -0.047 0.000 2.087 401 F HA -0.082 4.379 4.527 -0.111 0.000 0.299 401 F C 1.877 177.709 175.800 0.053 0.000 1.100 401 F CA 1.440 59.431 58.000 -0.016 0.000 1.226 401 F CB -0.442 38.526 39.000 -0.054 0.000 0.983 401 F HN 0.097 nan 8.300 nan 0.000 0.479 402 L N -0.168 121.087 121.223 0.052 0.000 2.131 402 L HA -0.095 4.178 4.340 -0.112 0.000 0.206 402 L C 2.662 179.570 176.870 0.062 0.000 1.087 402 L CA 1.321 56.156 54.840 -0.008 0.000 0.767 402 L CB -0.736 41.259 42.059 -0.107 0.000 0.917 402 L HN 0.091 nan 8.230 nan 0.000 0.441 403 R N 0.449 120.948 120.500 -0.001 0.000 2.103 403 R HA -0.196 4.077 4.340 -0.112 0.000 0.242 403 R C 2.368 178.662 176.300 -0.010 0.000 1.142 403 R CA 2.222 58.324 56.100 0.004 0.000 0.960 403 R CB -0.334 29.956 30.300 -0.017 0.000 0.858 403 R HN 0.498 nan 8.270 nan 0.000 0.439 404 T N -2.355 112.145 114.554 -0.089 0.000 2.951 404 T HA -0.089 4.193 4.350 -0.112 0.000 0.268 404 T C 1.664 176.221 174.700 -0.238 0.000 1.073 404 T CA 1.000 62.995 62.100 -0.174 0.000 1.134 404 T CB -0.317 68.417 68.868 -0.223 0.000 0.884 404 T HN 0.329 nan 8.240 nan 0.000 0.479 405 H N -0.347 118.639 119.070 -0.139 0.000 2.448 405 H HA 0.155 4.644 4.556 -0.112 0.000 0.292 405 H C 1.220 176.461 175.328 -0.145 0.000 1.035 405 H CA 0.963 56.908 56.048 -0.171 0.000 1.349 405 H CB -0.118 29.463 29.762 -0.302 0.000 1.425 405 H HN 0.513 nan 8.280 nan 0.000 0.539 406 Y N -0.173 120.139 120.300 0.020 0.000 2.490 406 Y HA 0.126 4.609 4.550 -0.112 0.000 0.281 406 Y C 1.933 177.830 175.900 -0.006 0.000 1.174 406 Y CA 0.415 58.525 58.100 0.016 0.000 1.295 406 Y CB 0.569 39.036 38.460 0.012 0.000 1.062 406 Y HN 0.326 nan 8.280 nan 0.000 0.522 407 G N 0.306 109.157 108.800 0.086 0.000 2.234 407 G HA2 -0.292 3.601 3.960 -0.112 0.000 0.260 407 G HA3 -0.292 3.601 3.960 -0.112 0.000 0.260 407 G C -0.015 174.908 174.900 0.037 0.000 0.987 407 G CA 0.561 45.683 45.100 0.036 0.000 0.625 407 G HN 0.435 nan 8.290 nan 0.000 0.532 408 E N -0.935 119.302 120.200 0.061 0.000 2.407 408 E HA 0.667 4.950 4.350 -0.112 0.000 0.279 408 E C 0.016 176.628 176.600 0.020 0.000 1.012 408 E CA -0.542 55.878 56.400 0.033 0.000 0.800 408 E CB 1.000 30.721 29.700 0.034 0.000 1.276 408 E HN 1.092 nan 8.360 nan 0.000 0.452 409 A N 1.569 124.386 122.820 -0.004 0.000 2.567 409 A HA 0.185 4.438 4.320 -0.112 0.000 0.240 409 A C -0.397 177.161 177.584 -0.043 0.000 1.053 409 A CA 0.068 52.090 52.037 -0.025 0.000 0.755 409 A CB -0.290 18.695 19.000 -0.024 0.000 0.978 409 A HN 0.441 nan 8.150 nan 0.000 0.507 410 L N 3.518 124.690 121.223 -0.085 0.000 2.367 410 L HA 0.220 4.493 4.340 -0.112 0.000 0.275 410 L C 0.490 177.313 176.870 -0.079 0.000 1.129 410 L CA -0.081 54.682 54.840 -0.128 0.000 0.839 410 L CB 0.589 42.509 42.059 -0.232 0.000 1.133 410 L HN 0.804 nan 8.230 nan 0.000 0.453 411 D N 0.722 121.087 120.400 -0.059 0.000 2.358 411 D HA 0.051 4.624 4.640 -0.112 0.000 0.244 411 D C 0.541 176.827 176.300 -0.023 0.000 1.163 411 D CA -0.570 53.411 54.000 -0.032 0.000 0.945 411 D CB 0.517 41.307 40.800 -0.016 0.000 1.152 411 D HN 0.425 nan 8.370 nan 0.000 0.451 412 D N 0.037 120.433 120.400 -0.007 0.000 2.192 412 D HA -0.255 4.318 4.640 -0.112 0.000 0.189 412 D C 1.415 177.738 176.300 0.039 0.000 1.007 412 D CA 1.615 55.621 54.000 0.011 0.000 0.859 412 D CB -0.283 40.526 40.800 0.014 0.000 0.936 412 D HN 0.389 nan 8.370 nan 0.000 0.447 413 N N -0.437 118.289 118.700 0.043 0.000 2.104 413 N HA -0.084 4.589 4.740 -0.112 0.000 0.190 413 N C 1.553 177.129 175.510 0.110 0.000 1.024 413 N CA 1.496 54.594 53.050 0.080 0.000 0.853 413 N CB -0.404 38.118 38.487 0.059 0.000 1.008 413 N HN 0.228 nan 8.380 nan 0.000 0.424 414 A N 0.314 123.155 122.820 0.035 0.000 1.929 414 A HA 0.007 4.260 4.320 -0.112 0.000 0.216 414 A C 2.338 179.971 177.584 0.082 0.000 1.176 414 A CA 0.730 52.765 52.037 -0.004 0.000 0.628 414 A CB -0.604 18.304 19.000 -0.154 0.000 0.816 414 A HN 0.237 nan 8.150 nan 0.000 0.444 415 L N -0.636 120.616 121.223 0.049 0.000 1.994 415 L HA -0.195 4.078 4.340 -0.112 0.000 0.208 415 L C 2.598 179.627 176.870 0.265 0.000 1.071 415 L CA 1.300 56.204 54.840 0.107 0.000 0.745 415 L CB -0.621 41.452 42.059 0.023 0.000 0.892 415 L HN 0.367 nan 8.230 nan 0.000 0.431 416 L N -1.402 119.947 121.223 0.210 0.000 2.051 416 L HA -0.332 3.941 4.340 -0.112 0.000 0.214 416 L C 2.590 179.665 176.870 0.341 0.000 1.076 416 L CA 1.781 56.767 54.840 0.243 0.000 0.758 416 L CB -0.585 41.577 42.059 0.173 0.000 0.890 416 L HN 0.270 nan 8.230 nan 0.000 0.433 417 Y N -1.237 119.183 120.300 0.201 0.000 2.163 417 Y HA -0.319 4.163 4.550 -0.112 0.000 0.288 417 Y C 2.424 178.460 175.900 0.225 0.000 1.136 417 Y CA 1.572 59.780 58.100 0.180 0.000 1.147 417 Y CB -0.342 38.209 38.460 0.152 0.000 0.987 417 Y HN 0.164 nan 8.280 nan 0.000 0.509 418 W N 0.256 121.792 121.300 0.393 0.000 2.318 418 W HA -0.345 4.247 4.660 -0.113 0.000 0.313 418 W C 2.271 178.950 176.519 0.267 0.000 1.221 418 W CA 2.544 60.083 57.345 0.322 0.000 1.266 418 W CB -0.859 28.741 29.460 0.233 0.000 1.150 418 W HN 0.249 nan 8.180 nan 0.000 0.496 419 F N 1.089 121.314 119.950 0.458 0.000 2.126 419 F HA -0.285 4.175 4.527 -0.112 0.000 0.299 419 F C 2.357 178.207 175.800 0.083 0.000 1.096 419 F CA 2.443 60.622 58.000 0.298 0.000 1.255 419 F CB -0.704 38.417 39.000 0.203 0.000 0.997 419 F HN -0.179 nan 8.300 nan 0.000 0.479 420 D N 0.351 120.737 120.400 -0.024 0.000 2.123 420 D HA -0.200 4.373 4.640 -0.112 0.000 0.196 420 D C 1.703 177.820 176.300 -0.306 0.000 0.992 420 D CA 1.622 55.510 54.000 -0.186 0.000 0.833 420 D CB -0.253 40.484 40.800 -0.104 0.000 0.954 420 D HN 0.340 nan 8.370 nan 0.000 0.455 421 D N -0.873 119.347 120.400 -0.300 0.000 2.144 421 D HA -0.139 4.434 4.640 -0.112 0.000 0.200 421 D C 1.829 177.906 176.300 -0.373 0.000 0.978 421 D CA 0.507 54.313 54.000 -0.323 0.000 0.833 421 D CB -0.391 40.234 40.800 -0.292 0.000 0.961 421 D HN 0.354 nan 8.370 nan 0.000 0.470 422 Y N 1.804 121.735 120.300 -0.615 0.000 2.070 422 Y HA -0.298 4.185 4.550 -0.112 0.000 0.279 422 Y C 2.602 178.242 175.900 -0.434 0.000 1.134 422 Y CA 2.506 60.275 58.100 -0.551 0.000 1.113 422 Y CB -0.276 37.841 38.460 -0.573 0.000 0.981 422 Y HN -0.031 nan 8.280 nan 0.000 0.487 423 Q N -0.951 118.546 119.800 -0.505 0.000 2.112 423 Q HA -0.195 4.078 4.340 -0.112 0.000 0.206 423 Q C 1.908 177.678 176.000 -0.384 0.000 0.987 423 Q CA 2.466 57.954 55.803 -0.526 0.000 0.858 423 Q CB -1.218 27.062 28.738 -0.764 0.000 0.905 423 Q HN 0.310 nan 8.270 nan 0.000 0.420 424 T N 0.647 115.001 114.554 -0.334 0.000 2.737 424 T HA -0.147 4.136 4.350 -0.112 0.000 0.269 424 T C 1.503 176.063 174.700 -0.234 0.000 1.040 424 T CA 1.807 63.769 62.100 -0.230 0.000 1.142 424 T CB -0.169 68.580 68.868 -0.199 0.000 0.861 424 T HN 0.375 nan 8.240 nan 0.000 0.456 425 R N -0.156 120.152 120.500 -0.320 0.000 2.310 425 R HA 0.260 4.533 4.340 -0.112 0.000 0.202 425 R C 1.829 177.932 176.300 -0.327 0.000 0.933 425 R CA 0.126 56.048 56.100 -0.296 0.000 1.054 425 R CB 0.007 30.124 30.300 -0.305 0.000 0.985 425 R HN 0.259 nan 8.270 nan 0.000 0.489 426 L N -0.583 120.407 121.223 -0.389 0.000 2.349 426 L HA 0.153 4.426 4.340 -0.112 0.000 0.200 426 L C 1.569 178.310 176.870 -0.216 0.000 1.064 426 L CA 1.128 55.756 54.840 -0.354 0.000 0.821 426 L CB -0.011 41.733 42.059 -0.524 0.000 1.027 426 L HN 0.022 nan 8.230 nan 0.000 0.476 427 L N -0.265 120.854 121.223 -0.174 0.000 2.005 427 L HA -0.137 4.136 4.340 -0.112 0.000 0.207 427 L C 2.812 179.687 176.870 0.008 0.000 1.072 427 L CA 1.344 56.154 54.840 -0.051 0.000 0.744 427 L CB -0.580 41.486 42.059 0.013 0.000 0.895 427 L HN 0.224 nan 8.230 nan 0.000 0.433 428 R N 0.003 120.490 120.500 -0.021 0.000 2.094 428 R HA -0.165 4.108 4.340 -0.112 0.000 0.239 428 R C -0.281 176.039 176.300 0.034 0.000 1.137 428 R CA 1.842 57.949 56.100 0.011 0.000 0.943 428 R CB -1.850 28.436 30.300 -0.023 0.000 0.850 428 R HN 0.400 nan 8.270 nan 0.000 0.433 429 P HA -0.064 nan 4.420 nan 0.000 0.216 429 P C 1.651 178.994 177.300 0.072 0.000 1.153 429 P CA 1.170 64.289 63.100 0.031 0.000 0.844 429 P CB -0.080 31.614 31.700 -0.009 0.000 0.787 430 V N 0.281 120.225 119.914 0.049 0.000 2.358 430 V HA -0.185 3.868 4.120 -0.112 0.000 0.246 430 V C 2.781 178.976 176.094 0.167 0.000 1.047 430 V CA 1.524 63.871 62.300 0.079 0.000 1.035 430 V CB -1.151 30.675 31.823 0.005 0.000 0.658 430 V HN 0.008 nan 8.190 nan 0.000 0.452 431 L N -0.519 120.833 121.223 0.214 0.000 2.156 431 L HA -0.076 4.197 4.340 -0.112 0.000 0.208 431 L C 2.552 179.656 176.870 0.390 0.000 1.095 431 L CA 1.128 56.196 54.840 0.381 0.000 0.770 431 L CB -0.466 41.842 42.059 0.415 0.000 0.914 431 L HN 0.288 nan 8.230 nan 0.000 0.439 432 S N 0.066 115.914 115.700 0.245 0.000 2.402 432 S HA -0.092 4.311 4.470 -0.112 0.000 0.229 432 S C 1.963 176.686 174.600 0.205 0.000 1.021 432 S CA 1.001 59.321 58.200 0.200 0.000 0.974 432 S CB -0.134 63.149 63.200 0.139 0.000 0.800 432 S HN 0.285 nan 8.310 nan 0.000 0.484 433 L N -0.326 121.016 121.223 0.198 0.000 2.056 433 L HA -0.052 4.221 4.340 -0.112 0.000 0.207 433 L C 2.150 179.122 176.870 0.169 0.000 1.078 433 L CA 1.350 56.299 54.840 0.182 0.000 0.749 433 L CB -0.317 41.845 42.059 0.171 0.000 0.901 433 L HN 0.315 nan 8.230 nan 0.000 0.433 434 F N -0.240 119.698 119.950 -0.020 0.000 2.074 434 F HA -0.211 4.250 4.527 -0.110 0.000 0.293 434 F C 2.080 177.739 175.800 -0.234 0.000 1.116 434 F CA 1.519 59.406 58.000 -0.188 0.000 1.212 434 F CB -0.146 38.636 39.000 -0.363 0.000 0.998 434 F HN -0.128 nan 8.300 nan 0.000 0.471 435 F N 0.517 120.433 119.950 -0.056 0.000 2.293 435 F HA -0.071 4.389 4.527 -0.112 0.000 0.297 435 F C 2.140 177.816 175.800 -0.207 0.000 1.089 435 F CA 0.781 58.647 58.000 -0.225 0.000 1.377 435 F CB -1.008 37.940 39.000 -0.087 0.000 1.051 435 F HN -0.016 nan 8.300 nan 0.000 0.511 436 N N -1.013 117.697 118.700 0.018 0.000 2.135 436 N HA -0.113 4.560 4.740 -0.112 0.000 0.186 436 N C 1.440 176.746 175.510 -0.340 0.000 1.027 436 N CA 1.364 54.309 53.050 -0.174 0.000 0.849 436 N CB -0.275 38.113 38.487 -0.166 0.000 1.002 436 N HN 0.291 nan 8.380 nan 0.000 0.425 437 H N -2.074 116.966 119.070 -0.050 0.000 3.058 437 H HA 0.277 4.766 4.556 -0.112 0.000 0.266 437 H C 0.610 175.937 175.328 -0.002 0.000 1.135 437 H CA 0.594 56.643 56.048 0.002 0.000 1.174 437 H CB 0.817 30.528 29.762 -0.086 0.000 1.581 437 H HN 0.224 nan 8.280 nan 0.000 0.553 438 G N 1.826 110.580 108.800 -0.077 0.000 2.179 438 G HA2 -0.277 3.616 3.960 -0.112 0.000 0.257 438 G HA3 -0.277 3.616 3.960 -0.112 0.000 0.257 438 G C 0.148 175.038 174.900 -0.016 0.000 1.010 438 G CA 0.544 45.542 45.100 -0.170 0.000 0.736 438 G HN 0.192 nan 8.290 nan 0.000 0.513 439 V N 0.639 120.569 119.914 0.028 0.000 2.383 439 V HA 0.482 4.535 4.120 -0.112 0.000 0.275 439 V C 0.652 176.848 176.094 0.170 0.000 1.036 439 V CA -0.642 61.674 62.300 0.027 0.000 0.889 439 V CB 1.799 33.542 31.823 -0.134 0.000 0.985 439 V HN 0.276 nan 8.190 nan 0.000 0.459 440 V N 6.445 126.448 119.914 0.149 0.000 2.333 440 V HA 0.395 4.448 4.120 -0.112 0.000 0.274 440 V C 0.399 176.536 176.094 0.072 0.000 1.028 440 V CA -0.518 61.874 62.300 0.153 0.000 0.851 440 V CB 1.052 32.939 31.823 0.106 0.000 1.000 440 V HN 0.717 nan 8.190 nan 0.000 0.456 441 M N 2.904 122.554 119.600 0.083 0.000 2.114 441 M HA 0.450 4.863 4.480 -0.112 0.000 0.280 441 M C 0.317 176.617 176.300 -0.001 0.000 1.209 441 M CA -0.103 55.232 55.300 0.059 0.000 1.044 441 M CB 0.447 33.081 32.600 0.056 0.000 1.404 441 M HN 0.673 nan 8.290 nan 0.000 0.499 442 E N 2.055 122.233 120.200 -0.036 0.000 3.108 442 E HA 0.284 4.567 4.350 -0.112 0.000 0.228 442 E C -2.188 174.277 176.600 -0.224 0.000 1.176 442 E CA -1.586 54.772 56.400 -0.071 0.000 0.881 442 E CB 0.915 30.607 29.700 -0.012 0.000 1.354 442 E HN 0.198 nan 8.360 nan 0.000 0.400 443 P HA 0.080 nan 4.420 nan 0.000 0.226 443 P C -0.652 176.633 177.300 -0.025 0.000 1.758 443 P CA -0.192 62.830 63.100 -0.130 0.000 0.896 443 P CB -0.691 30.939 31.700 -0.118 0.000 1.784 444 H N -1.689 117.391 119.070 0.016 0.000 2.548 444 H HA 0.195 4.686 4.556 -0.109 0.000 0.366 444 H C 1.468 176.763 175.328 -0.055 0.000 1.433 444 H CA -0.729 55.298 56.048 -0.035 0.000 1.443 444 H CB -0.208 29.515 29.762 -0.065 0.000 1.594 444 H HN -0.180 nan 8.280 nan 0.000 0.608 445 L N -0.882 120.371 121.223 0.050 0.000 2.079 445 L HA -0.205 4.068 4.340 -0.112 0.000 0.210 445 L C 2.596 179.492 176.870 0.043 0.000 1.081 445 L CA 1.629 56.395 54.840 -0.123 0.000 0.752 445 L CB -0.550 41.392 42.059 -0.194 0.000 0.896 445 L HN 0.715 nan 8.230 nan 0.000 0.433 446 Q N -0.332 119.620 119.800 0.254 0.000 2.167 446 Q HA -0.130 4.143 4.340 -0.112 0.000 0.202 446 Q C 0.971 177.038 176.000 0.111 0.000 0.970 446 Q CA 1.033 56.942 55.803 0.176 0.000 0.855 446 Q CB 0.102 28.939 28.738 0.166 0.000 0.911 446 Q HN 0.415 nan 8.270 nan 0.000 0.438 447 N N -0.189 118.505 118.700 -0.010 0.000 2.295 447 N HA 0.103 4.776 4.740 -0.112 0.000 0.221 447 N C -1.187 174.250 175.510 -0.121 0.000 1.129 447 N CA 0.127 53.072 53.050 -0.176 0.000 0.836 447 N CB 1.012 39.239 38.487 -0.433 0.000 1.040 447 N HN -0.075 nan 8.380 nan 0.000 0.494 448 S N -0.554 115.123 115.700 -0.038 0.000 2.536 448 S HA 0.604 5.007 4.470 -0.112 0.000 0.287 448 S C -0.566 174.029 174.600 -0.008 0.000 1.101 448 S CA -0.691 57.510 58.200 0.001 0.000 0.950 448 S CB 2.738 66.058 63.200 0.200 0.000 1.056 448 S HN -0.182 nan 8.310 nan 0.000 0.481 449 V N 3.109 122.976 119.914 -0.078 0.000 2.482 449 V HA 0.386 4.439 4.120 -0.112 0.000 0.295 449 V C -0.726 175.348 176.094 -0.033 0.000 1.026 449 V CA -0.700 61.551 62.300 -0.082 0.000 0.856 449 V CB 1.473 33.118 31.823 -0.296 0.000 1.001 449 V HN 0.779 nan 8.190 nan 0.000 0.424 450 L N 6.386 127.662 121.223 0.088 0.000 2.360 450 L HA 0.452 4.725 4.340 -0.112 0.000 0.276 450 L C -0.175 176.776 176.870 0.134 0.000 1.121 450 L CA 0.619 55.551 54.840 0.153 0.000 0.845 450 L CB 1.208 43.430 42.059 0.271 0.000 1.143 450 L HN 0.469 nan 8.230 nan 0.000 0.452 451 V N 6.281 126.251 119.914 0.093 0.000 2.347 451 V HA 0.401 4.454 4.120 -0.112 0.000 0.280 451 V C -0.386 175.796 176.094 0.145 0.000 1.021 451 V CA -0.484 61.864 62.300 0.081 0.000 0.847 451 V CB 0.797 32.612 31.823 -0.012 0.000 0.990 451 V HN 1.019 nan 8.190 nan 0.000 0.444 452 H N 2.882 121.994 119.070 0.070 0.000 2.797 452 H HA 0.836 5.325 4.556 -0.111 0.000 0.372 452 H C -0.732 174.613 175.328 0.029 0.000 1.168 452 H CA -1.140 54.956 56.048 0.081 0.000 1.163 452 H CB 1.831 31.702 29.762 0.181 0.000 1.778 452 H HN 0.415 nan 8.280 nan 0.000 0.551 453 Q N 1.697 121.471 119.800 -0.043 0.000 2.339 453 Q HA 0.237 4.510 4.340 -0.112 0.000 0.268 453 Q C -0.794 175.165 176.000 -0.068 0.000 1.027 453 Q CA -0.466 55.265 55.803 -0.120 0.000 0.759 453 Q CB 1.121 29.822 28.738 -0.061 0.000 1.244 453 Q HN 0.826 nan 8.270 nan 0.000 0.464 454 Q N 3.074 122.796 119.800 -0.131 0.000 2.416 454 Q HA -0.330 3.943 4.340 -0.112 0.000 0.319 454 Q C 0.603 176.350 176.000 -0.421 0.000 1.318 454 Q CA 1.041 56.732 55.803 -0.186 0.000 0.915 454 Q CB -1.653 27.072 28.738 -0.022 0.000 1.184 454 Q HN 1.193 nan 8.270 nan 0.000 0.444 455 G N -0.689 107.936 108.800 -0.292 0.000 2.258 455 G HA2 -0.341 3.552 3.960 -0.112 0.000 0.233 455 G HA3 -0.341 3.552 3.960 -0.112 0.000 0.233 455 G C 0.107 175.241 174.900 0.390 0.000 1.006 455 G CA 0.103 45.117 45.100 -0.142 0.000 0.620 455 G HN 0.342 nan 8.290 nan 0.000 0.511 456 R N 1.864 122.503 120.500 0.232 0.000 2.298 456 R HA 0.462 4.735 4.340 -0.112 0.000 0.310 456 R C -2.470 173.938 176.300 0.181 0.000 1.068 456 R CA -1.512 54.726 56.100 0.230 0.000 0.957 456 R CB 0.665 31.029 30.300 0.107 0.000 1.003 456 R HN 0.143 nan 8.270 nan 0.000 0.454 457 P HA -0.050 nan 4.420 nan 0.000 0.267 457 P C -0.343 176.944 177.300 -0.022 0.000 1.209 457 P CA 0.225 63.319 63.100 -0.010 0.000 0.763 457 P CB 0.964 32.511 31.700 -0.255 0.000 0.816 458 Q N 1.897 121.699 119.800 0.004 0.000 2.606 458 Q HA 0.146 4.419 4.340 -0.112 0.000 0.215 458 Q C 0.165 176.128 176.000 -0.061 0.000 0.908 458 Q CA 0.926 56.713 55.803 -0.027 0.000 0.908 458 Q CB 0.338 29.068 28.738 -0.012 0.000 1.120 458 Q HN 0.548 nan 8.270 nan 0.000 0.628 459 Q N -0.397 119.367 119.800 -0.059 0.000 2.456 459 Q HA 0.498 4.771 4.340 -0.112 0.000 0.284 459 Q C -1.476 174.455 176.000 -0.114 0.000 1.061 459 Q CA -0.393 55.350 55.803 -0.100 0.000 0.799 459 Q CB 3.279 31.961 28.738 -0.093 0.000 1.445 459 Q HN -0.101 nan 8.270 nan 0.000 0.411 460 V N 2.151 121.965 119.914 -0.168 0.000 2.266 460 V HA 0.315 4.368 4.120 -0.112 0.000 0.271 460 V C -0.551 175.440 176.094 -0.173 0.000 1.032 460 V CA -0.592 61.603 62.300 -0.174 0.000 0.806 460 V CB 0.651 32.303 31.823 -0.286 0.000 1.052 460 V HN 0.679 nan 8.190 nan 0.000 0.449 461 L N 5.924 127.023 121.223 -0.207 0.000 2.416 461 L HA 0.462 4.735 4.340 -0.112 0.000 0.272 461 L C -0.653 176.062 176.870 -0.258 0.000 1.161 461 L CA 0.237 54.911 54.840 -0.276 0.000 0.845 461 L CB 0.586 42.362 42.059 -0.470 0.000 1.119 461 L HN 0.471 nan 8.230 nan 0.000 0.464 462 L N 5.748 126.837 121.223 -0.224 0.000 2.331 462 L HA 0.671 4.944 4.340 -0.112 0.000 0.275 462 L C -0.086 176.644 176.870 -0.234 0.000 1.022 462 L CA -0.688 54.038 54.840 -0.191 0.000 0.812 462 L CB 1.680 43.661 42.059 -0.130 0.000 1.257 462 L HN 0.747 nan 8.230 nan 0.000 0.435 463 R N 0.098 120.464 120.500 -0.224 0.000 2.885 463 R HA 0.613 4.886 4.340 -0.112 0.000 0.260 463 R C -1.465 174.693 176.300 -0.238 0.000 1.107 463 R CA -0.890 55.040 56.100 -0.284 0.000 0.978 463 R CB 1.277 31.439 30.300 -0.230 0.000 1.227 463 R HN 0.463 nan 8.270 nan 0.000 0.473 464 D N -0.157 120.059 120.400 -0.306 0.000 3.639 464 D HA -0.106 4.467 4.640 -0.112 0.000 0.253 464 D C -0.457 175.858 176.300 0.025 0.000 1.049 464 D CA 0.168 54.079 54.000 -0.147 0.000 1.059 464 D CB -0.600 40.158 40.800 -0.071 0.000 0.953 464 D HN 0.526 nan 8.370 nan 0.000 0.420 465 F N 0.864 120.801 119.950 -0.021 0.000 2.451 465 F HA -0.019 4.440 4.527 -0.112 0.000 0.299 465 F C 2.393 178.206 175.800 0.023 0.000 1.101 465 F CA 1.261 59.274 58.000 0.022 0.000 1.436 465 F CB -0.335 38.695 39.000 0.051 0.000 1.074 465 F HN 0.499 nan 8.300 nan 0.000 0.553 466 E N 0.467 120.769 120.200 0.170 0.000 2.110 466 E HA -0.147 4.136 4.350 -0.112 0.000 0.193 466 E C 2.460 179.103 176.600 0.072 0.000 0.988 466 E CA 1.312 57.769 56.400 0.094 0.000 0.804 466 E CB -0.572 29.163 29.700 0.058 0.000 0.745 466 E HN 0.361 nan 8.360 nan 0.000 0.458 467 G N 1.102 109.948 108.800 0.075 0.000 2.650 467 G HA2 -0.017 3.876 3.960 -0.112 0.000 0.214 467 G HA3 -0.017 3.876 3.960 -0.112 0.000 0.214 467 G C 0.698 175.600 174.900 0.003 0.000 1.136 467 G CA 0.167 45.295 45.100 0.046 0.000 0.789 467 G HN 0.118 nan 8.290 nan 0.000 0.536 468 V N 1.303 121.253 119.914 0.060 0.000 2.673 468 V HA 0.240 4.293 4.120 -0.112 0.000 0.303 468 V C 0.022 176.076 176.094 -0.067 0.000 1.046 468 V CA 0.230 62.557 62.300 0.045 0.000 1.126 468 V CB 1.091 33.011 31.823 0.162 0.000 0.934 468 V HN 0.126 nan 8.190 nan 0.000 0.487 469 K N 4.616 124.935 120.400 -0.136 0.000 2.477 469 K HA 0.677 4.930 4.320 -0.112 0.000 0.255 469 K C -1.284 175.269 176.600 -0.078 0.000 0.952 469 K CA -0.679 55.471 56.287 -0.229 0.000 0.826 469 K CB 2.669 34.718 32.500 -0.751 0.000 1.331 469 K HN 0.445 nan 8.250 nan 0.000 0.437 470 L N 1.507 122.724 121.223 -0.009 0.000 2.356 470 L HA 0.337 4.610 4.340 -0.112 0.000 0.277 470 L C 0.544 177.477 176.870 0.106 0.000 0.996 470 L CA -1.021 53.847 54.840 0.047 0.000 0.822 470 L CB 1.935 44.013 42.059 0.032 0.000 1.256 470 L HN 0.737 nan 8.230 nan 0.000 0.413 471 T N -2.743 111.873 114.554 0.103 0.000 2.940 471 T HA -0.005 4.278 4.350 -0.112 0.000 0.309 471 T C 0.926 175.662 174.700 0.059 0.000 1.056 471 T CA -0.303 61.859 62.100 0.104 0.000 1.137 471 T CB 0.765 69.634 68.868 0.002 0.000 0.976 471 T HN 0.726 nan 8.240 nan 0.000 0.547 472 D N 1.145 121.585 120.400 0.067 0.000 2.310 472 D HA -0.153 4.420 4.640 -0.112 0.000 0.212 472 D C 1.239 177.537 176.300 -0.003 0.000 0.965 472 D CA 1.226 55.246 54.000 0.034 0.000 0.879 472 D CB -0.176 40.646 40.800 0.037 0.000 0.921 472 D HN 0.810 nan 8.370 nan 0.000 0.510 473 D N -0.786 119.602 120.400 -0.019 0.000 2.392 473 D HA 0.006 4.579 4.640 -0.112 0.000 0.206 473 D C 1.553 177.807 176.300 -0.077 0.000 1.046 473 D CA -0.052 53.921 54.000 -0.045 0.000 0.865 473 D CB 0.152 40.926 40.800 -0.043 0.000 0.969 473 D HN 0.349 nan 8.370 nan 0.000 0.509 474 L N -0.302 120.870 121.223 -0.087 0.000 2.463 474 L HA 0.407 4.680 4.340 -0.112 0.000 0.208 474 L C 2.062 178.873 176.870 -0.098 0.000 1.082 474 L CA 1.383 56.153 54.840 -0.117 0.000 0.997 474 L CB -0.316 41.660 42.059 -0.140 0.000 1.953 474 L HN -0.036 nan 8.230 nan 0.000 0.499 475 G N 0.974 109.761 108.800 -0.021 0.000 2.448 475 G HA2 -0.190 3.703 3.960 -0.112 0.000 0.219 475 G HA3 -0.190 3.703 3.960 -0.112 0.000 0.219 475 G C 1.563 176.507 174.900 0.072 0.000 1.127 475 G CA 1.223 46.379 45.100 0.092 0.000 0.766 475 G HN 0.411 nan 8.290 nan 0.000 0.552 476 I N 0.207 120.778 120.570 0.002 0.000 2.113 476 I HA -0.284 3.818 4.170 -0.112 0.000 0.242 476 I C 2.868 178.954 176.117 -0.052 0.000 1.064 476 I CA 1.634 62.927 61.300 -0.011 0.000 1.320 476 I CB -0.280 37.707 38.000 -0.022 0.000 1.028 476 I HN 0.191 nan 8.210 nan 0.000 0.406 477 R N 0.402 120.804 120.500 -0.164 0.000 2.170 477 R HA -0.229 4.044 4.340 -0.112 0.000 0.242 477 R C 2.227 178.395 176.300 -0.220 0.000 1.145 477 R CA 1.796 57.754 56.100 -0.237 0.000 0.984 477 R CB -0.389 29.694 30.300 -0.363 0.000 0.869 477 R HN 0.417 nan 8.270 nan 0.000 0.455 478 Y N 0.335 120.607 120.300 -0.046 0.000 2.352 478 Y HA -0.011 4.472 4.550 -0.112 0.000 0.292 478 Y C 0.936 176.809 175.900 -0.046 0.000 1.136 478 Y CA -0.003 58.064 58.100 -0.055 0.000 1.227 478 Y CB 0.094 38.498 38.460 -0.094 0.000 0.991 478 Y HN -0.036 nan 8.280 nan 0.000 0.545 479 I N 1.217 121.840 120.570 0.089 0.000 2.471 479 I HA -0.010 4.093 4.170 -0.112 0.000 0.286 479 I C -0.216 175.919 176.117 0.031 0.000 1.079 479 I CA -0.230 61.100 61.300 0.050 0.000 1.398 479 I CB 0.373 38.394 38.000 0.035 0.000 1.403 479 I HN 0.023 nan 8.210 nan 0.000 0.530 480 D N 4.576 124.997 120.400 0.035 0.000 2.382 480 D HA 0.006 4.579 4.640 -0.112 0.000 0.240 480 D C 0.732 177.047 176.300 0.025 0.000 1.146 480 D CA 0.072 54.089 54.000 0.029 0.000 0.897 480 D CB 0.719 41.540 40.800 0.036 0.000 1.197 480 D HN 0.429 nan 8.370 nan 0.000 0.432 481 D N 0.086 120.497 120.400 0.017 0.000 2.312 481 D HA -0.106 4.467 4.640 -0.112 0.000 0.211 481 D C 0.748 177.060 176.300 0.019 0.000 0.964 481 D CA 0.643 54.651 54.000 0.014 0.000 0.877 481 D CB 0.003 40.806 40.800 0.005 0.000 0.924 481 D HN 0.504 nan 8.370 nan 0.000 0.515 482 D N 0.239 120.656 120.400 0.028 0.000 2.325 482 D HA -0.064 4.509 4.640 -0.112 0.000 0.234 482 D C 0.418 176.754 176.300 0.060 0.000 1.122 482 D CA -0.233 53.789 54.000 0.037 0.000 0.850 482 D CB 0.367 41.189 40.800 0.037 0.000 0.921 482 D HN 0.028 nan 8.370 nan 0.000 0.513 483 I N 1.756 122.364 120.570 0.063 0.000 2.428 483 I HA 0.066 4.169 4.170 -0.112 0.000 0.289 483 I C 0.881 177.074 176.117 0.126 0.000 1.019 483 I CA -1.003 60.355 61.300 0.098 0.000 1.351 483 I CB 0.459 38.505 38.000 0.076 0.000 1.412 483 I HN 0.109 nan 8.210 nan 0.000 0.513 484 H N 8.539 127.667 119.070 0.096 0.000 3.034 484 H HA 0.032 4.521 4.556 -0.112 0.000 0.324 484 H C -1.623 173.753 175.328 0.081 0.000 1.015 484 H CA -1.037 55.091 56.048 0.133 0.000 1.429 484 H CB 1.128 31.048 29.762 0.264 0.000 1.429 484 H HN 0.282 nan 8.280 nan 0.000 0.585 485 P HA -0.167 nan 4.420 nan 0.000 0.218 485 P C 1.529 178.924 177.300 0.158 0.000 1.146 485 P CA 1.222 64.397 63.100 0.125 0.000 0.820 485 P CB 0.323 32.053 31.700 0.049 0.000 0.778 486 R N -0.248 120.447 120.500 0.325 0.000 2.080 486 R HA -0.009 4.264 4.340 -0.112 0.000 0.222 486 R C 2.003 178.152 176.300 -0.251 0.000 1.107 486 R CA 1.078 57.153 56.100 -0.042 0.000 0.980 486 R CB -1.458 28.836 30.300 -0.010 0.000 0.879 486 R HN -0.031 nan 8.270 nan 0.000 0.439 487 V N 1.112 120.916 119.914 -0.182 0.000 2.332 487 V HA -0.247 3.806 4.120 -0.112 0.000 0.248 487 V C 2.515 178.591 176.094 -0.030 0.000 1.055 487 V CA 2.277 64.499 62.300 -0.130 0.000 1.038 487 V CB -0.614 31.163 31.823 -0.078 0.000 0.651 487 V HN 0.340 nan 8.190 nan 0.000 0.450 488 R N -0.265 120.243 120.500 0.013 0.000 2.073 488 R HA -0.213 4.060 4.340 -0.112 0.000 0.234 488 R C 2.499 178.808 176.300 0.015 0.000 1.134 488 R CA 1.993 58.107 56.100 0.024 0.000 0.952 488 R CB -0.313 30.011 30.300 0.039 0.000 0.850 488 R HN 0.612 nan 8.270 nan 0.000 0.433 489 Q N -0.213 119.582 119.800 -0.009 0.000 2.050 489 Q HA -0.182 4.091 4.340 -0.112 0.000 0.202 489 Q C 2.078 178.079 176.000 0.002 0.000 0.980 489 Q CA 2.058 57.852 55.803 -0.014 0.000 0.840 489 Q CB -0.166 28.538 28.738 -0.057 0.000 0.898 489 Q HN 0.324 nan 8.270 nan 0.000 0.424 490 S N -0.052 115.626 115.700 -0.037 0.000 2.374 490 S HA -0.146 4.257 4.470 -0.112 0.000 0.227 490 S C 1.853 176.501 174.600 0.081 0.000 1.037 490 S CA 1.247 59.480 58.200 0.056 0.000 1.024 490 S CB -0.216 63.100 63.200 0.194 0.000 0.861 490 S HN 0.439 nan 8.310 nan 0.000 0.456 491 L N 0.471 121.724 121.223 0.050 0.000 2.313 491 L HA 0.198 4.471 4.340 -0.112 0.000 0.214 491 L C 0.647 177.560 176.870 0.071 0.000 1.119 491 L CA -0.142 54.717 54.840 0.033 0.000 0.809 491 L CB -0.305 41.763 42.059 0.015 0.000 0.933 491 L HN 0.266 nan 8.230 nan 0.000 0.449 492 L N -0.276 121.018 121.223 0.119 0.000 2.380 492 L HA 0.198 4.471 4.340 -0.112 0.000 0.273 492 L C -0.845 176.230 176.870 0.342 0.000 1.138 492 L CA 0.440 55.377 54.840 0.162 0.000 0.832 492 L CB 0.219 42.338 42.059 0.100 0.000 1.124 492 L HN -0.137 nan 8.230 nan 0.000 0.454 493 Y N 1.594 121.924 120.300 0.049 0.000 2.534 493 Y HA 0.411 4.894 4.550 -0.113 0.000 0.345 493 Y C 0.059 175.998 175.900 0.066 0.000 1.031 493 Y CA -1.106 57.033 58.100 0.065 0.000 1.022 493 Y CB 2.124 40.640 38.460 0.093 0.000 1.292 493 Y HN 0.661 nan 8.280 nan 0.000 0.459 494 S N 3.212 118.929 115.700 0.027 0.000 2.592 494 S HA 0.283 4.686 4.470 -0.112 0.000 0.271 494 S C 1.306 175.985 174.600 0.133 0.000 1.326 494 S CA -0.522 57.705 58.200 0.046 0.000 1.024 494 S CB 1.269 64.458 63.200 -0.018 0.000 0.921 494 S HN 0.898 nan 8.310 nan 0.000 0.527 495 R N 1.100 121.687 120.500 0.144 0.000 2.103 495 R HA -0.147 4.126 4.340 -0.112 0.000 0.242 495 R C 1.900 178.383 176.300 0.305 0.000 1.142 495 R CA 1.996 58.237 56.100 0.235 0.000 0.960 495 R CB -0.363 30.020 30.300 0.137 0.000 0.858 495 R HN 0.833 nan 8.270 nan 0.000 0.439 496 E N 0.385 120.694 120.200 0.181 0.000 2.058 496 E HA -0.256 4.027 4.350 -0.112 0.000 0.194 496 E C 2.103 178.774 176.600 0.118 0.000 0.997 496 E CA 1.535 58.033 56.400 0.163 0.000 0.801 496 E CB -0.151 29.590 29.700 0.068 0.000 0.746 496 E HN 0.525 nan 8.360 nan 0.000 0.450 497 Q N -0.191 119.612 119.800 0.006 0.000 2.061 497 Q HA -0.128 4.145 4.340 -0.112 0.000 0.204 497 Q C 2.292 178.368 176.000 0.126 0.000 0.984 497 Q CA 1.527 57.256 55.803 -0.123 0.000 0.846 497 Q CB -0.439 27.957 28.738 -0.570 0.000 0.902 497 Q HN 0.342 nan 8.270 nan 0.000 0.421 498 G N 0.439 109.457 108.800 0.363 0.000 2.514 498 G HA2 -0.299 3.594 3.960 -0.112 0.000 0.217 498 G HA3 -0.299 3.594 3.960 -0.112 0.000 0.217 498 G C 1.017 175.979 174.900 0.102 0.000 1.198 498 G CA 0.664 46.023 45.100 0.431 0.000 0.780 498 G HN 0.540 nan 8.290 nan 0.000 0.565 499 W N 1.418 122.631 121.300 -0.145 0.000 2.363 499 W HA -0.123 4.472 4.660 -0.108 0.000 0.296 499 W C 2.308 178.789 176.519 -0.064 0.000 1.212 499 W CA 0.987 58.177 57.345 -0.258 0.000 1.260 499 W CB -0.031 29.416 29.460 -0.022 0.000 1.131 499 W HN 0.184 nan 8.180 nan 0.000 0.530 500 N N 0.616 119.260 118.700 -0.093 0.000 2.069 500 N HA -0.241 4.432 4.740 -0.112 0.000 0.191 500 N C 1.862 177.311 175.510 -0.102 0.000 1.031 500 N CA 1.881 54.813 53.050 -0.196 0.000 0.852 500 N CB -0.730 37.592 38.487 -0.275 0.000 1.018 500 N HN 0.274 nan 8.380 nan 0.000 0.423 501 R N 0.862 121.374 120.500 0.019 0.000 2.066 501 R HA 0.027 4.300 4.340 -0.112 0.000 0.232 501 R C 2.345 178.671 176.300 0.042 0.000 1.131 501 R CA 0.889 57.087 56.100 0.163 0.000 0.955 501 R CB -0.217 30.224 30.300 0.235 0.000 0.851 501 R HN 0.139 nan 8.270 nan 0.000 0.432 502 I N 0.528 121.016 120.570 -0.136 0.000 2.208 502 I HA -0.334 3.769 4.170 -0.112 0.000 0.245 502 I C 2.500 178.381 176.117 -0.393 0.000 1.097 502 I CA 1.403 62.549 61.300 -0.257 0.000 1.363 502 I CB -0.185 37.636 38.000 -0.298 0.000 1.051 502 I HN 0.294 nan 8.210 nan 0.000 0.413 503 M N -0.653 118.629 119.600 -0.531 0.000 2.065 503 M HA -0.281 4.132 4.480 -0.112 0.000 0.259 503 M C 2.530 178.790 176.300 -0.067 0.000 1.069 503 M CA 2.152 57.254 55.300 -0.330 0.000 1.110 503 M CB -0.640 31.725 32.600 -0.392 0.000 1.328 503 M HN 0.258 nan 8.290 nan 0.000 0.405 504 Y N 0.428 120.669 120.300 -0.099 0.000 2.097 504 Y HA -0.307 4.178 4.550 -0.107 0.000 0.282 504 Y C 2.403 178.265 175.900 -0.065 0.000 1.152 504 Y CA 1.567 59.642 58.100 -0.042 0.000 1.136 504 Y CB -0.918 37.580 38.460 0.063 0.000 0.975 504 Y HN 0.274 nan 8.280 nan 0.000 0.498 505 C N 0.312 119.413 119.300 -0.332 0.000 2.436 505 C HA -0.161 4.232 4.460 -0.112 0.000 0.277 505 C C 2.920 177.705 174.990 -0.342 0.000 1.241 505 C CA 1.284 60.069 59.018 -0.389 0.000 1.721 505 C CB -1.480 26.183 27.740 -0.129 0.000 2.043 505 C HN 0.625 nan 8.230 nan 0.000 0.472 506 L N -0.710 120.238 121.223 -0.457 0.000 2.027 506 L HA -0.096 4.177 4.340 -0.112 0.000 0.206 506 L C 2.285 178.872 176.870 -0.471 0.000 1.074 506 L CA 1.865 56.321 54.840 -0.639 0.000 0.745 506 L CB -0.513 40.850 42.059 -1.158 0.000 0.898 506 L HN 0.339 nan 8.230 nan 0.000 0.433 507 F N -1.301 118.668 119.950 0.032 0.000 2.383 507 F HA 0.067 4.526 4.527 -0.114 0.000 0.287 507 F C 2.193 178.017 175.800 0.040 0.000 1.069 507 F CA 0.349 58.474 58.000 0.209 0.000 1.402 507 F CB 0.021 39.151 39.000 0.217 0.000 1.116 507 F HN -0.152 nan 8.300 nan 0.000 0.549 508 I N -0.318 120.134 120.570 -0.196 0.000 2.556 508 I HA -0.150 3.953 4.170 -0.112 0.000 0.251 508 I C 2.328 178.319 176.117 -0.210 0.000 1.105 508 I CA 0.593 61.657 61.300 -0.393 0.000 1.436 508 I CB -0.386 37.333 38.000 -0.468 0.000 1.139 508 I HN 0.151 nan 8.210 nan 0.000 0.438 509 N N 0.495 118.912 118.700 -0.472 0.000 2.142 509 N HA -0.215 4.458 4.740 -0.112 0.000 0.186 509 N C 1.753 177.174 175.510 -0.148 0.000 1.023 509 N CA 1.779 54.586 53.050 -0.405 0.000 0.852 509 N CB 0.128 38.109 38.487 -0.843 0.000 0.998 509 N HN 0.456 nan 8.380 nan 0.000 0.424 510 H N -0.382 118.580 119.070 -0.181 0.000 2.292 510 H HA 0.265 4.754 4.556 -0.112 0.000 0.325 510 H C 2.260 177.558 175.328 -0.050 0.000 1.119 510 H CA 0.450 56.447 56.048 -0.084 0.000 1.617 510 H CB -0.100 29.613 29.762 -0.082 0.000 1.502 510 H HN -0.039 nan 8.280 nan 0.000 0.615 511 L N 0.004 121.402 121.223 0.292 0.000 2.131 511 L HA -0.167 4.106 4.340 -0.112 0.000 0.210 511 L C 2.666 179.617 176.870 0.135 0.000 1.092 511 L CA 1.123 56.098 54.840 0.225 0.000 0.759 511 L CB -0.379 41.862 42.059 0.303 0.000 0.903 511 L HN 0.332 nan 8.230 nan 0.000 0.435 512 S N -0.509 115.399 115.700 0.347 0.000 2.382 512 S HA -0.168 4.235 4.470 -0.112 0.000 0.228 512 S C 1.942 176.621 174.600 0.132 0.000 1.027 512 S CA 1.132 59.590 58.200 0.429 0.000 0.991 512 S CB -0.052 63.467 63.200 0.533 0.000 0.823 512 S HN 0.370 nan 8.310 nan 0.000 0.469 513 E N 0.722 120.943 120.200 0.035 0.000 2.072 513 E HA -0.063 4.220 4.350 -0.112 0.000 0.191 513 E C 2.260 178.743 176.600 -0.195 0.000 0.985 513 E CA 1.366 57.738 56.400 -0.047 0.000 0.801 513 E CB -1.075 28.595 29.700 -0.050 0.000 0.750 513 E HN 0.519 nan 8.360 nan 0.000 0.452 514 T N 2.001 116.280 114.554 -0.457 0.000 2.652 514 T HA -0.122 4.161 4.350 -0.112 0.000 0.267 514 T C 2.155 176.658 174.700 -0.329 0.000 1.039 514 T CA 1.181 62.752 62.100 -0.881 0.000 1.153 514 T CB -0.315 68.017 68.868 -0.893 0.000 0.863 514 T HN 0.102 nan 8.240 nan 0.000 0.428 515 I N 0.597 120.987 120.570 -0.300 0.000 2.118 515 I HA -0.195 3.908 4.170 -0.112 0.000 0.241 515 I C 2.397 178.424 176.117 -0.150 0.000 1.070 515 I CA 1.109 62.197 61.300 -0.353 0.000 1.327 515 I CB -0.456 37.212 38.000 -0.553 0.000 1.034 515 I HN 0.163 nan 8.210 nan 0.000 0.405 516 L N 1.048 122.227 121.223 -0.072 0.000 2.042 516 L HA -0.216 4.057 4.340 -0.112 0.000 0.210 516 L C 2.507 179.429 176.870 0.087 0.000 1.076 516 L CA 2.237 57.073 54.840 -0.008 0.000 0.749 516 L CB -0.742 41.273 42.059 -0.075 0.000 0.893 516 L HN 0.229 nan 8.230 nan 0.000 0.432 517 A N -0.823 122.040 122.820 0.072 0.000 1.873 517 A HA -0.122 4.131 4.320 -0.112 0.000 0.215 517 A C 2.232 179.868 177.584 0.087 0.000 1.186 517 A CA 1.728 53.849 52.037 0.140 0.000 0.616 517 A CB -0.854 18.277 19.000 0.219 0.000 0.823 517 A HN 0.462 nan 8.150 nan 0.000 0.442 518 L N 0.513 121.764 121.223 0.047 0.000 2.083 518 L HA -0.158 4.115 4.340 -0.112 0.000 0.209 518 L C 2.479 179.335 176.870 -0.024 0.000 1.083 518 L CA 1.621 56.459 54.840 -0.003 0.000 0.752 518 L CB -0.302 41.757 42.059 -0.000 0.000 0.899 518 L HN 0.581 nan 8.230 nan 0.000 0.433 519 S N -2.074 113.616 115.700 -0.017 0.000 2.577 519 S HA 0.009 4.412 4.470 -0.112 0.000 0.219 519 S C 0.845 175.450 174.600 0.009 0.000 0.962 519 S CA -0.460 57.727 58.200 -0.021 0.000 0.921 519 S CB -0.080 63.092 63.200 -0.047 0.000 0.789 519 S HN 0.284 nan 8.310 nan 0.000 0.497 520 Q N 1.450 121.262 119.800 0.020 0.000 2.263 520 Q HA 0.249 4.522 4.340 -0.112 0.000 0.289 520 Q C 1.300 177.221 176.000 -0.131 0.000 1.061 520 Q CA 1.599 57.331 55.803 -0.118 0.000 0.927 520 Q CB 0.180 28.780 28.738 -0.231 0.000 1.154 520 Q HN 0.749 nan 8.270 nan 0.000 0.378 521 G N 4.798 113.511 108.800 -0.145 0.000 2.253 521 G HA2 -0.290 3.603 3.960 -0.112 0.000 0.251 521 G HA3 -0.290 3.603 3.960 -0.112 0.000 0.251 521 G C 0.400 175.270 174.900 -0.049 0.000 0.998 521 G CA 0.365 45.409 45.100 -0.093 0.000 0.621 521 G HN 0.617 nan 8.290 nan 0.000 0.524 522 R N 0.550 121.027 120.500 -0.038 0.000 2.674 522 R HA 0.253 4.526 4.340 -0.112 0.000 0.270 522 R C -1.887 174.404 176.300 -0.015 0.000 1.492 522 R CA -0.938 55.148 56.100 -0.024 0.000 1.624 522 R CB 1.484 31.768 30.300 -0.027 0.000 1.307 522 R HN 0.231 nan 8.270 nan 0.000 0.683 523 P HA -0.185 nan 4.420 nan 0.000 0.234 523 P C 0.878 178.176 177.300 -0.002 0.000 1.167 523 P CA 0.894 63.996 63.100 0.003 0.000 0.763 523 P CB 0.414 32.120 31.700 0.009 0.000 0.835 524 Q N -0.101 119.697 119.800 -0.003 0.000 2.435 524 Q HA -0.021 4.252 4.340 -0.112 0.000 0.207 524 Q C 1.866 177.865 176.000 -0.002 0.000 0.956 524 Q CA 0.749 56.553 55.803 0.001 0.000 0.917 524 Q CB -1.039 27.702 28.738 0.005 0.000 0.997 524 Q HN 0.306 nan 8.270 nan 0.000 0.497 525 L N 0.689 121.901 121.223 -0.018 0.000 2.156 525 L HA -0.012 4.261 4.340 -0.112 0.000 0.208 525 L C 2.661 179.491 176.870 -0.067 0.000 1.095 525 L CA 0.748 55.564 54.840 -0.039 0.000 0.770 525 L CB -0.603 41.422 42.059 -0.057 0.000 0.914 525 L HN 0.226 nan 8.230 nan 0.000 0.439 526 A N 1.094 123.881 122.820 -0.055 0.000 1.873 526 A HA -0.180 4.073 4.320 -0.112 0.000 0.218 526 A C -0.018 177.601 177.584 0.060 0.000 1.193 526 A CA 2.045 54.053 52.037 -0.049 0.000 0.629 526 A CB -1.926 17.095 19.000 0.035 0.000 0.826 526 A HN 0.266 nan 8.150 nan 0.000 0.447 527 P HA -0.140 nan 4.420 nan 0.000 0.216 527 P C 1.413 178.802 177.300 0.149 0.000 1.150 527 P CA 0.994 64.190 63.100 0.161 0.000 0.837 527 P CB -0.191 31.564 31.700 0.092 0.000 0.786 528 L N -2.295 118.967 121.223 0.065 0.000 2.093 528 L HA -0.107 4.166 4.340 -0.112 0.000 0.208 528 L C 2.515 179.404 176.870 0.031 0.000 1.085 528 L CA 1.464 56.334 54.840 0.051 0.000 0.755 528 L CB -0.887 41.190 42.059 0.029 0.000 0.904 528 L HN -0.007 nan 8.230 nan 0.000 0.435 529 M N -1.629 117.912 119.600 -0.097 0.000 2.175 529 M HA -0.177 4.236 4.480 -0.112 0.000 0.264 529 M C 2.100 178.332 176.300 -0.112 0.000 1.063 529 M CA 2.010 57.133 55.300 -0.295 0.000 1.119 529 M CB -0.341 31.725 32.600 -0.891 0.000 1.377 529 M HN 0.254 nan 8.290 nan 0.000 0.415 530 W N 0.252 121.588 121.300 0.060 0.000 2.436 530 W HA -0.087 4.505 4.660 -0.112 0.000 0.284 530 W C 2.633 179.250 176.519 0.163 0.000 1.225 530 W CA 0.566 58.051 57.345 0.232 0.000 1.271 530 W CB -0.107 29.535 29.460 0.303 0.000 1.114 530 W HN 0.198 nan 8.180 nan 0.000 0.559 531 R N 0.865 121.558 120.500 0.321 0.000 2.091 531 R HA -0.162 4.111 4.340 -0.112 0.000 0.238 531 R C 2.244 178.582 176.300 0.063 0.000 1.136 531 R CA 1.456 57.636 56.100 0.132 0.000 0.959 531 R CB -0.244 30.121 30.300 0.110 0.000 0.856 531 R HN -0.051 nan 8.270 nan 0.000 0.437 532 R N 0.199 120.774 120.500 0.126 0.000 2.096 532 R HA -0.073 4.200 4.340 -0.112 0.000 0.235 532 R C 2.236 178.614 176.300 0.130 0.000 1.127 532 R CA 1.393 57.571 56.100 0.129 0.000 0.968 532 R CB -0.613 29.817 30.300 0.216 0.000 0.861 532 R HN 0.229 nan 8.270 nan 0.000 0.440 533 V N 1.135 121.183 119.914 0.224 0.000 2.453 533 V HA -0.209 3.844 4.120 -0.112 0.000 0.247 533 V C 2.615 178.705 176.094 -0.007 0.000 1.048 533 V CA 1.577 64.021 62.300 0.238 0.000 1.049 533 V CB -0.579 31.576 31.823 0.555 0.000 0.672 533 V HN 0.330 nan 8.190 nan 0.000 0.457 534 Q N -0.081 119.545 119.800 -0.290 0.000 2.050 534 Q HA -0.286 3.987 4.340 -0.112 0.000 0.202 534 Q C 2.399 178.243 176.000 -0.259 0.000 0.980 534 Q CA 2.087 57.544 55.803 -0.577 0.000 0.840 534 Q CB -0.101 28.083 28.738 -0.923 0.000 0.898 534 Q HN 0.681 nan 8.270 nan 0.000 0.424 535 Q N -0.212 119.497 119.800 -0.153 0.000 2.096 535 Q HA -0.264 4.009 4.340 -0.112 0.000 0.204 535 Q C 2.041 178.008 176.000 -0.055 0.000 0.982 535 Q CA 1.810 57.562 55.803 -0.085 0.000 0.850 535 Q CB -0.073 28.639 28.738 -0.043 0.000 0.901 535 Q HN 0.276 nan 8.270 nan 0.000 0.422 536 Q N 0.506 120.289 119.800 -0.029 0.000 2.224 536 Q HA -0.077 4.196 4.340 -0.112 0.000 0.203 536 Q C 1.648 177.655 176.000 0.011 0.000 0.970 536 Q CA 1.151 56.949 55.803 -0.009 0.000 0.865 536 Q CB -0.022 28.716 28.738 0.001 0.000 0.922 536 Q HN 0.402 nan 8.270 nan 0.000 0.445 537 L N -0.489 120.743 121.223 0.014 0.000 2.072 537 L HA -0.095 4.178 4.340 -0.112 0.000 0.205 537 L C 2.407 179.274 176.870 -0.005 0.000 1.079 537 L CA 1.217 56.085 54.840 0.047 0.000 0.752 537 L CB -0.358 41.742 42.059 0.069 0.000 0.906 537 L HN 0.179 nan 8.230 nan 0.000 0.436 538 R N 0.204 120.677 120.500 -0.046 0.000 2.105 538 R HA -0.150 4.123 4.340 -0.112 0.000 0.239 538 R C 2.397 178.671 176.300 -0.043 0.000 1.135 538 R CA 1.299 57.367 56.100 -0.053 0.000 0.967 538 R CB -0.570 29.692 30.300 -0.064 0.000 0.861 538 R HN 0.355 nan 8.270 nan 0.000 0.442 539 A N 1.652 124.452 122.820 -0.033 0.000 1.845 539 A HA -0.141 4.112 4.320 -0.112 0.000 0.215 539 A C 2.215 179.785 177.584 -0.023 0.000 1.195 539 A CA 1.234 53.254 52.037 -0.029 0.000 0.616 539 A CB -0.543 18.440 19.000 -0.027 0.000 0.832 539 A HN 0.155 nan 8.150 nan 0.000 0.443 540 I N -0.385 120.179 120.570 -0.009 0.000 2.208 540 I HA -0.346 3.757 4.170 -0.112 0.000 0.245 540 I C 2.779 178.884 176.117 -0.019 0.000 1.097 540 I CA 1.811 63.114 61.300 0.005 0.000 1.363 540 I CB -0.412 37.615 38.000 0.045 0.000 1.051 540 I HN 0.553 nan 8.210 nan 0.000 0.413 541 Q N 1.036 120.807 119.800 -0.049 0.000 2.012 541 Q HA -0.277 3.996 4.340 -0.112 0.000 0.211 541 Q C 2.119 178.064 176.000 -0.092 0.000 1.009 541 Q CA 2.415 58.151 55.803 -0.112 0.000 0.866 541 Q CB -0.585 28.081 28.738 -0.120 0.000 0.945 541 Q HN 0.588 nan 8.270 nan 0.000 0.414 542 G N -0.329 108.432 108.800 -0.066 0.000 2.653 542 G HA2 -0.201 3.692 3.960 -0.112 0.000 0.212 542 G HA3 -0.201 3.692 3.960 -0.112 0.000 0.212 542 G C 0.856 175.731 174.900 -0.041 0.000 1.138 542 G CA 0.467 45.535 45.100 -0.054 0.000 0.782 542 G HN 0.488 nan 8.290 nan 0.000 0.535 543 E N -0.823 119.356 120.200 -0.035 0.000 2.452 543 E HA 0.192 4.475 4.350 -0.112 0.000 0.197 543 E C 0.551 177.139 176.600 -0.019 0.000 1.022 543 E CA -0.315 56.073 56.400 -0.020 0.000 0.890 543 E CB 0.177 29.873 29.700 -0.006 0.000 0.918 543 E HN 0.345 nan 8.360 nan 0.000 0.496 544 L N 1.033 122.233 121.223 -0.037 0.000 2.379 544 L HA 0.231 4.504 4.340 -0.112 0.000 0.269 544 L C 1.080 177.920 176.870 -0.049 0.000 1.084 544 L CA -0.484 54.335 54.840 -0.036 0.000 0.802 544 L CB 0.752 42.780 42.059 -0.053 0.000 1.175 544 L HN -0.184 nan 8.230 nan 0.000 0.448 545 K N 0.810 121.182 120.400 -0.048 0.000 2.374 545 K HA 0.211 4.464 4.320 -0.112 0.000 0.196 545 K C -0.207 176.349 176.600 -0.073 0.000 1.023 545 K CA 0.170 56.421 56.287 -0.060 0.000 1.103 545 K CB 0.534 32.993 32.500 -0.068 0.000 0.848 545 K HN 0.501 nan 8.250 nan 0.000 0.528 546 Q N 0.640 120.396 119.800 -0.072 0.000 2.379 546 Q HA 0.363 4.636 4.340 -0.112 0.000 0.278 546 Q C -2.634 173.311 176.000 -0.091 0.000 1.068 546 Q CA -2.151 53.608 55.803 -0.073 0.000 0.816 546 Q CB 1.849 30.549 28.738 -0.065 0.000 1.387 546 Q HN -0.087 nan 8.270 nan 0.000 0.413 547 P HA -0.058 nan 4.420 nan 0.000 0.264 547 P C -0.366 176.837 177.300 -0.162 0.000 1.173 547 P CA 0.443 63.475 63.100 -0.113 0.000 0.761 547 P CB 0.314 31.967 31.700 -0.078 0.000 0.794 548 S N 1.010 116.546 115.700 -0.273 0.000 2.407 548 S HA 0.332 4.735 4.470 -0.112 0.000 0.166 548 S C -2.181 172.217 174.600 -0.337 0.000 1.445 548 S CA -1.051 56.853 58.200 -0.494 0.000 1.260 548 S CB 0.867 63.331 63.200 -1.226 0.000 1.401 548 S HN 0.150 nan 8.310 nan 0.000 0.379 549 P HA -0.105 nan 4.420 nan 0.000 0.218 549 P C 1.050 178.270 177.300 -0.134 0.000 1.148 549 P CA 1.307 64.332 63.100 -0.124 0.000 0.822 549 P CB 0.053 31.711 31.700 -0.069 0.000 0.784 550 E N -1.121 118.978 120.200 -0.169 0.000 2.204 550 E HA -0.148 4.135 4.350 -0.112 0.000 0.195 550 E C 1.731 178.234 176.600 -0.161 0.000 0.990 550 E CA 0.640 56.895 56.400 -0.242 0.000 0.821 550 E CB -0.820 28.420 29.700 -0.767 0.000 0.750 550 E HN 0.134 nan 8.360 nan 0.000 0.477 551 L N 0.915 121.983 121.223 -0.259 0.000 2.095 551 L HA -0.080 4.193 4.340 -0.112 0.000 0.204 551 L C 1.273 178.133 176.870 -0.017 0.000 1.080 551 L CA 1.697 56.472 54.840 -0.109 0.000 0.759 551 L CB -0.420 41.433 42.059 -0.343 0.000 0.914 551 L HN 0.043 nan 8.230 nan 0.000 0.439 552 D N -0.040 120.311 120.400 -0.083 0.000 2.104 552 D HA -0.224 4.349 4.640 -0.112 0.000 0.194 552 D C 2.107 178.418 176.300 0.018 0.000 0.994 552 D CA 1.557 55.535 54.000 -0.037 0.000 0.830 552 D CB -0.107 40.658 40.800 -0.058 0.000 0.959 552 D HN 0.415 nan 8.370 nan 0.000 0.452 553 A N 1.288 124.102 122.820 -0.009 0.000 1.873 553 A HA -0.206 4.047 4.320 -0.112 0.000 0.218 553 A C 2.235 179.869 177.584 0.084 0.000 1.193 553 A CA 1.400 53.411 52.037 -0.044 0.000 0.629 553 A CB -0.916 17.959 19.000 -0.208 0.000 0.826 553 A HN 0.217 nan 8.150 nan 0.000 0.447 554 L N 0.044 121.400 121.223 0.222 0.000 1.994 554 L HA -0.138 4.135 4.340 -0.112 0.000 0.208 554 L C 2.340 179.498 176.870 0.480 0.000 1.071 554 L CA 1.910 57.036 54.840 0.478 0.000 0.745 554 L CB -0.547 41.861 42.059 0.581 0.000 0.892 554 L HN 0.481 nan 8.230 nan 0.000 0.431 555 I N -0.350 120.389 120.570 0.282 0.000 2.208 555 I HA -0.335 3.768 4.170 -0.112 0.000 0.245 555 I C 2.536 178.785 176.117 0.220 0.000 1.097 555 I CA 1.309 62.690 61.300 0.134 0.000 1.363 555 I CB -0.812 37.184 38.000 -0.007 0.000 1.051 555 I HN 0.348 nan 8.210 nan 0.000 0.413 556 A N 0.495 123.435 122.820 0.199 0.000 2.084 556 A HA -0.038 4.215 4.320 -0.112 0.000 0.221 556 A C 1.950 179.695 177.584 0.269 0.000 1.161 556 A CA 1.478 53.626 52.037 0.184 0.000 0.653 556 A CB -0.970 18.101 19.000 0.118 0.000 0.802 556 A HN 0.738 nan 8.150 nan 0.000 0.457 557 G N -1.234 107.805 108.800 0.398 0.000 2.131 557 G HA2 -0.218 3.675 3.960 -0.112 0.000 0.201 557 G HA3 -0.218 3.675 3.960 -0.112 0.000 0.201 557 G C 0.066 175.019 174.900 0.088 0.000 1.000 557 G CA 0.275 45.518 45.100 0.239 0.000 0.680 557 G HN 1.449 nan 8.290 nan 0.000 0.514 558 H N 0.325 119.421 119.070 0.043 0.000 2.757 558 H HA 0.481 4.971 4.556 -0.110 0.000 0.370 558 H C -2.338 172.966 175.328 -0.040 0.000 1.172 558 H CA -0.957 55.100 56.048 0.014 0.000 1.426 558 H CB 0.153 29.957 29.762 0.070 0.000 1.438 558 H HN 0.147 nan 8.280 nan 0.000 0.612 559 P HA -0.009 nan 4.420 nan 0.000 0.268 559 P C -0.562 176.331 177.300 -0.679 0.000 1.208 559 P CA -0.117 62.690 63.100 -0.489 0.000 0.777 559 P CB 0.534 32.079 31.700 -0.258 0.000 0.875 560 V N 1.640 121.374 119.914 -0.299 0.000 2.483 560 V HA 0.538 4.591 4.120 -0.112 0.000 0.295 560 V C 0.452 176.513 176.094 -0.055 0.000 1.035 560 V CA -1.077 61.136 62.300 -0.145 0.000 0.896 560 V CB 1.195 33.027 31.823 0.015 0.000 0.986 560 V HN 0.670 nan 8.190 nan 0.000 0.447 561 A N 3.132 125.945 122.820 -0.011 0.000 2.477 561 A HA 0.385 4.638 4.320 -0.112 0.000 0.246 561 A C 0.034 177.719 177.584 0.169 0.000 1.078 561 A CA 0.053 52.142 52.037 0.087 0.000 0.770 561 A CB 0.037 19.068 19.000 0.052 0.000 1.011 561 A HN 1.014 nan 8.150 nan 0.000 0.494 562 C N 4.215 123.604 119.300 0.149 0.000 2.383 562 C HA 0.489 4.882 4.460 -0.112 0.000 0.330 562 C C 0.168 174.872 174.990 -0.476 0.000 1.168 562 C CA -0.857 58.126 59.018 -0.059 0.000 1.374 562 C CB -0.001 27.698 27.740 -0.068 0.000 2.014 562 C HN 0.951 nan 8.230 nan 0.000 0.439 563 K N 3.696 123.403 120.400 -1.156 0.000 2.350 563 K HA 0.361 4.614 4.320 -0.112 0.000 0.279 563 K C 0.483 176.553 176.600 -0.884 0.000 1.027 563 K CA 0.233 55.577 56.287 -1.573 0.000 0.969 563 K CB 0.829 32.275 32.500 -1.756 0.000 0.954 563 K HN 0.840 nan 8.250 nan 0.000 0.474 564 T N 0.728 114.891 114.554 -0.651 0.000 2.907 564 T HA 0.288 4.571 4.350 -0.112 0.000 0.284 564 T C 0.496 175.000 174.700 -0.327 0.000 1.004 564 T CA -0.849 61.003 62.100 -0.413 0.000 1.063 564 T CB 1.205 69.861 68.868 -0.354 0.000 0.992 564 T HN 0.545 nan 8.240 nan 0.000 0.483 565 N N 0.284 118.817 118.700 -0.278 0.000 2.382 565 N HA 0.107 4.780 4.740 -0.112 0.000 0.200 565 N C 1.158 176.488 175.510 -0.299 0.000 1.122 565 N CA 0.005 52.881 53.050 -0.290 0.000 0.870 565 N CB 0.246 38.516 38.487 -0.363 0.000 1.176 565 N HN 0.497 nan 8.380 nan 0.000 0.474 566 L N 1.648 122.750 121.223 -0.202 0.000 2.269 566 L HA 0.251 4.524 4.340 -0.112 0.000 0.200 566 L C 2.059 178.932 176.870 0.004 0.000 1.069 566 L CA 1.618 56.410 54.840 -0.080 0.000 0.804 566 L CB -0.505 41.584 42.059 0.050 0.000 0.987 566 L HN -0.156 nan 8.230 nan 0.000 0.468 567 K N -0.766 119.606 120.400 -0.047 0.000 2.097 567 K HA -0.158 4.095 4.320 -0.112 0.000 0.206 567 K C 2.054 178.635 176.600 -0.031 0.000 1.049 567 K CA 1.641 57.911 56.287 -0.029 0.000 0.933 567 K CB -0.193 32.106 32.500 -0.335 0.000 0.717 567 K HN 0.281 nan 8.250 nan 0.000 0.442 568 V N 1.190 121.051 119.914 -0.088 0.000 2.490 568 V HA -0.198 3.855 4.120 -0.112 0.000 0.250 568 V C 2.039 178.117 176.094 -0.026 0.000 1.061 568 V CA 1.672 63.933 62.300 -0.064 0.000 1.064 568 V CB -0.315 31.452 31.823 -0.092 0.000 0.670 568 V HN 0.330 nan 8.190 nan 0.000 0.461 569 R N -0.717 119.768 120.500 -0.025 0.000 2.236 569 R HA 0.167 4.440 4.340 -0.112 0.000 0.208 569 R C 1.286 177.596 176.300 0.016 0.000 1.036 569 R CA 0.612 56.709 56.100 -0.006 0.000 1.001 569 R CB -0.028 30.260 30.300 -0.020 0.000 0.896 569 R HN 0.453 nan 8.270 nan 0.000 0.464 570 L N 0.284 121.528 121.223 0.035 0.000 2.912 570 L HA 0.383 4.656 4.340 -0.112 0.000 0.240 570 L C 0.103 177.000 176.870 0.044 0.000 1.262 570 L CA -0.541 54.327 54.840 0.047 0.000 1.058 570 L CB 0.505 42.610 42.059 0.076 0.000 1.383 570 L HN 0.000 nan 8.230 nan 0.000 0.512 571 A N -0.189 122.648 122.820 0.028 0.000 2.485 571 A HA 0.911 5.164 4.320 -0.112 0.000 0.292 571 A C -0.326 177.268 177.584 0.016 0.000 1.147 571 A CA -0.260 51.790 52.037 0.022 0.000 0.750 571 A CB 1.302 20.312 19.000 0.016 0.000 1.331 571 A HN 0.143 nan 8.150 nan 0.000 0.419 578 A N 1.456 124.272 122.820 -0.006 0.000 2.067 578 A HA -0.023 4.230 4.320 -0.112 0.000 0.219 578 A C 2.013 179.549 177.584 -0.079 0.000 1.158 578 A CA 1.652 53.663 52.037 -0.043 0.000 0.661 578 A CB -0.323 18.660 19.000 -0.029 0.000 0.801 578 A HN 0.300 nan 8.150 nan 0.000 0.452 579 S N -1.866 113.814 115.700 -0.034 0.000 2.474 579 S HA 0.053 4.456 4.470 -0.112 0.000 0.235 579 S C -0.010 174.425 174.600 -0.274 0.000 0.997 579 S CA 0.627 58.767 58.200 -0.101 0.000 0.949 579 S CB -0.311 62.915 63.200 0.044 0.000 0.766 579 S HN 0.578 nan 8.310 nan 0.000 0.517 580 Y N -0.232 119.978 120.300 -0.149 0.000 2.534 580 Y HA 0.550 5.036 4.550 -0.107 0.000 0.345 580 Y C -0.198 175.608 175.900 -0.157 0.000 1.031 580 Y CA -1.230 56.772 58.100 -0.163 0.000 1.022 580 Y CB 1.840 40.224 38.460 -0.126 0.000 1.292 580 Y HN -0.050 nan 8.280 nan 0.000 0.459 581 V N -0.449 119.463 119.914 -0.003 0.000 3.119 581 V HA 0.770 4.823 4.120 -0.112 0.000 0.311 581 V C -1.148 174.944 176.094 -0.003 0.000 1.259 581 V CA -1.373 60.902 62.300 -0.042 0.000 1.067 581 V CB 2.262 34.004 31.823 -0.136 0.000 1.123 581 V HN 0.633 nan 8.190 nan 0.000 0.463 582 R N 0.944 121.423 120.500 -0.035 0.000 2.562 582 R HA 0.768 5.041 4.340 -0.112 0.000 0.298 582 R C -1.361 174.912 176.300 -0.045 0.000 0.961 582 R CA -0.542 55.535 56.100 -0.038 0.000 0.881 582 R CB 1.631 31.899 30.300 -0.054 0.000 1.159 582 R HN 0.769 nan 8.270 nan 0.000 0.450 583 L N 3.871 125.083 121.223 -0.019 0.000 2.346 583 L HA 0.505 4.778 4.340 -0.112 0.000 0.274 583 L C -2.064 174.780 176.870 -0.043 0.000 1.007 583 L CA -2.337 52.513 54.840 0.017 0.000 0.818 583 L CB 2.232 44.387 42.059 0.160 0.000 1.284 583 L HN 0.266 nan 8.230 nan 0.000 0.424 584 P HA 0.019 nan 4.420 nan 0.000 0.269 584 P C -0.452 176.582 177.300 -0.443 0.000 1.209 584 P CA -0.287 62.668 63.100 -0.242 0.000 0.776 584 P CB 0.880 32.456 31.700 -0.206 0.000 0.876 585 S N 2.367 117.735 115.700 -0.553 0.000 2.576 585 S HA 0.266 4.669 4.470 -0.112 0.000 0.276 585 S C -2.031 171.945 174.600 -1.041 0.000 1.339 585 S CA -0.962 56.660 58.200 -0.963 0.000 1.039 585 S CB -0.251 62.331 63.200 -1.030 0.000 0.902 585 S HN 0.301 nan 8.310 nan 0.000 0.516 586 P HA 0.371 nan 4.420 nan 0.000 0.214 586 P C -1.143 175.900 177.300 -0.428 0.000 1.807 586 P CA -0.168 62.384 63.100 -0.914 0.000 0.921 586 P CB -1.155 29.840 31.700 -1.175 0.000 1.835 587 W N 0.000 121.166 121.300 -0.223 0.000 2.388 587 W HA 0.000 4.595 4.660 -0.108 0.000 0.303 587 W CA 0.000 57.278 57.345 -0.111 0.000 1.226 587 W CB 0.000 29.419 29.460 -0.068 0.000 1.126 587 W HN 0.000 nan 8.180 nan 0.000 0.535